SCHEMBL3262089

SCHEMBL3262089

Cn1c(=O)c([N+](=O)[O-])c(Cl)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 1.00
ALDH1A1 P00352 8/20 1.00
NPSR1 Q6W5P4 6/20 1.00
NPC1 O15118 2/20 1.00
LMNA P02545 2/20 1.00
RAB9A P51151 2/20 1.00
TLR9 Q9NR96 2/20 1.00
XBP1 P17861 1/20 1.00
PAX8 Q06710 1/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
MITF O75030 2/20 0.68
HTT P42858 2/20 0.68
AGTR1 P30556 1/20 0.68
HSPD1 P10809 1/20 0.62
HSPE1 P61604 1/20 0.62
ATM Q13315 3/20 0.60
MEN1 O00255 1/20 0.59
NTSR1 P30989 1/20 0.59
KMT2A Q03164 1/20 0.59
KDM4E B2RXH2 2/20 0.58

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29516939 1.00 MAPT (1.00) MAPTALDH1A1NPSR1NPC1LMNA
SCHEMBL30099697 0.81 MAPT (0.68) MAPTALDH1A1NPSR1NPC1LMNA
SCHEMBL3160763 0.81 MAPT (0.68) MAPTALDH1A1NPSR1NPC1LMNA
SCHEMBL23527083 0.80 MAPT (0.66) MAPTALDH1A1NPSR1NPC1LMNA
SCHEMBL30099708 0.80 MAPT (0.66) MAPTALDH1A1NPSR1NPC1LMNA
SCHEMBL9212021 0.79 ALDH1A1 (0.76) MAPTALDH1A1NPSR1NPC1LMNA
SCHEMBL23609438 0.77 MAPT (0.63) MAPTALDH1A1NPSR1NPC1LMNA
SCHEMBL3193166 0.77 MAPT (0.62) MAPTALDH1A1NPSR1NPC1LMNA
SCHEMBL13312790 0.75 ALDH1A1 (0.59) MAPTALDH1A1NPSR1NPC1LMNA
SCHEMBL13312967 0.75 DGKA (0.73) MAPTALDH1A1NPSR1NPC1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12600723-B2 Tetracyclic compounds as DGK inhibitors INCYTE CORPORATION (US) 2026-04-14 US disclosed
US-12414949-B2 Pyrazolyl pyrimidinone compounds and the uses thereof PURDUE RESEARCH FOUNDATION (US) 2025-09-16 US disclosed
US-20240034734-A1 TETRACYCLIC COMPOUNDS AS DGK INHIBITORS INCYTE CORPORATION 2024-02-01 US disclosed
US-20230293523-A1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AND THE USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2023-09-21 US disclosed
US-20230250084-A1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AND THE USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2023-08-10 US disclosed
US-11690844-B2 Pyrazolyl pyrimidinone compounds and the uses thereof PURDUE RESEARCH FOUNDATION (US) 2023-07-04 US disclosed
US-11667623-B2 Scaffold of adenylyl cyclase inhibitors for chronic pain and opioid dependence PURDUE RESEARCH FOUNDATION (US) 2023-06-06 US disclosed
US-20210100797-A1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AND THE USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2021-04-08 US disclosed
US-20200239447-A1 NOVEL SCAFFOLD OF ADENYLYL CYCLASE INHIBITORS FOR CHRONIC PAIN AND OPIOID DEPENDENCE PURDUE RESEARCH FOUNDATION (US) 2020-07-30 US disclosed
US-10662176-B2 Scaffold of adenylyl cyclase inhibitors for chronic pain and opioid dependence PURDUE RESEARCH FOUNDATION (US) 2020-05-26 US disclosed
US-20060194793-A1 INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME AVANIR PHARMACEUTICALS 2006-08-31 US disclosed
US-20060194792-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS 2006-08-31 US disclosed
US-20060194818-A1 INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME AVANIR PHARMACEUTICALS 2006-08-31 US disclosed
US-7084141-B2 Inhibitors of macrophase migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS (US) 2006-08-01 US disclosed
US-20060094727-A1 INHIBITORS OF MACROPHASE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME AVANIR PHARMACEUTICALS 2006-05-04 US disclosed
US-20050287617-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS 2005-12-29 US disclosed
US-20050282236-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS 2005-12-22 US disclosed
EP-1389110-A2 INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME Avanir Pharmaceuticals (US) 2004-02-18 EP disclosed
US-20030195194-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS 2003-10-16 US disclosed
WO-2002094203-A2 INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME AVANIR PHARMACEUTICALS (US) 2002-11-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200239447-A1 NOVEL SCAFFOLD OF ADENYLYL CYCLASE INHIBITORS FOR CHRONIC PAIN AND OPIOID DEPENDENCE CAP1, ADCY1, ADCYAP1R1 MAPT 3579/4885ALDH1A1 111/4885NPSR1 66/4885
US-20060094727-A1 INHIBITORS OF MACROPHASE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME MIF, MSR1, MMP12 MAPT 4790/4885ALDH1A1 1637/4885NPSR1 563/4885
US-12414949-B2 Pyrazolyl pyrimidinone compounds and the uses thereof CAP1, ADCY1, ADCYAP1R1 MAPT 3370/4885ALDH1A1 31/4885NPSR1 101/4885
US-20240034734-A1 TETRACYCLIC COMPOUNDS AS DGK INHIBITORS DGKA, DGKG, DGKI MAPT 3354/4885ALDH1A1 3928/4885NPSR1 4801/4885
US-20060194793-A1 INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME MIF, MSR1, MMP12 MAPT 4805/4885ALDH1A1 2081/4885NPSR1 482/4885
US-20030195194-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same MIF, MSR1, MMP12 MAPT 4808/4885ALDH1A1 1863/4885NPSR1 707/4885
US-11667623-B2 Scaffold of adenylyl cyclase inhibitors for chronic pain and opioid dependence CAP1, ADCY1, ADCYAP1R1 MAPT 3085/4885ALDH1A1 74/4885NPSR1 58/4885
US-11690844-B2 Pyrazolyl pyrimidinone compounds and the uses thereof CAP1, ADCY1, ADCYAP1R1 MAPT 3370/4885ALDH1A1 31/4885NPSR1 101/4885
US-20230250084-A1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AND THE USES THEREOF CAP1, ADCY1, ADCYAP1R1 MAPT 3370/4885ALDH1A1 31/4885NPSR1 101/4885
US-20060194818-A1 INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME MIF, MSR1, MMP12 MAPT 4805/4885ALDH1A1 2081/4885NPSR1 482/4885
US-20230293523-A1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AND THE USES THEREOF CAP1, ADCY1, ADCYAP1R1 MAPT 3370/4885ALDH1A1 31/4885NPSR1 101/4885
US-20210100797-A1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AND THE USES THEREOF CAP1, ADCY1, ADCYAP1R1 MAPT 3370/4885ALDH1A1 31/4885NPSR1 101/4885
US-12600723-B2 Tetracyclic compounds as DGK inhibitors DGKB, DGKA, NR2C2 MAPT 4860/4885ALDH1A1 3817/4885NPSR1 412/4885
US-20060194792-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same MIF, MSR1, MMP12 MAPT 4805/4885ALDH1A1 2081/4885NPSR1 482/4885
US-10662176-B2 Scaffold of adenylyl cyclase inhibitors for chronic pain and opioid dependence CAP1, ADCY1, ADCYAP1R1 MAPT 3085/4885ALDH1A1 74/4885NPSR1 58/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.