SCHEMBL3387040

SCHEMBL3387040

O=[N+]([O-])c1ccc(C2CC2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
ALOX12 P18054 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
ADRA2A P08913 2/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44
SLC2A1 P11166 1/20 0.44
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
GAA P10253 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
AGTR1 P30556 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL29739557 0.93 MAPT (0.49) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL10020557 0.93 MAPT (0.49) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL13490418 0.80 MAPT (0.41) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL17729488 0.78 MAPT (0.46) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL17729490 0.78 MAPT (0.46) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL8685241 0.77 ALDH1A1 (0.48) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL3156019 0.76 MAPT (0.52) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL16980651 0.75 MAPT (0.56) MAPTALDH1A1LMNANPSR1HPGD
SCHEMBL6234530 0.75 CYP2C9 (0.42) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL24167920 0.74 MAPT (0.40) MAPTALDH1A1LMNAKMT2AMEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250257051-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS AS TYK2 INHIBITORS 1910 GENETICS INC (US) 2025-08-14 US disclosed
WO-2024026430-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS AS TYK2 INHIBITORS 1910 GENETICS INC. (US) 2024-02-01 WO disclosed
CN-107835814-A Azabenzimidazoles and their use as ampa receptor modulators 詹森药业有限公司 2018-03-23 CN disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
WO-2009122180-A1 PYRIMIDINE DERIVATIVES CAPABLE OF INHIBITING ONE OR MORE KINASES MEDICAL RESEARCH COUNCIL (GB) 2009-10-08 WO disclosed
WO-2009122180-A1 PYRIMIDINE DERIVATIVES CAPABLE OF INHIBITING ONE OR MORE KINASES MEDICAL RESEARCH COUNCIL (GB) 2009-10-08 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 (2 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-20100056524-A1 Compound NR3C2, NR3C1, NR2E3 MAPT 4034/4885ALDH1A1 2440/4885LMNA 4683/4885
US-20250257051-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS AS TYK2 INHIBITORS TYK2, PDXK, JAK1 MAPT 943/4885ALDH1A1 3146/4885LMNA 4383/4885

“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.