SCHEMBL5216901

SCHEMBL5216901

COC(=O)c1cc2c(c([N+](=O)[O-])c1)NCCN2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
VCAM1 P19320 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HPGD P15428 3/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TPMT P51580 1/20 0.40
ABL1 P00519 1/20 0.39
POLB P06746 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
ERN1 O75460 1/20 0.38

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
SCHEMBL20840695 0.79 MAPT (0.44) MAPTVCAM1KDM4EHPGDMEN1
SCHEMBL20840663 0.77 KDM4E (0.45) MAPTKDM4EHPGDALDH1A1NPSR1
SCHEMBL645817 0.76 VCAM1 (0.55) MAPTVCAM1KDM4EHPGDMEN1
SCHEMBL5222005 0.75 MAPT (0.44) MAPTVCAM1KDM4EHPGDMEN1
SCHEMBL30013574 0.75 MAPT (0.39) MAPTVCAM1KDM4EHPGDMEN1
SCHEMBL11363206 0.74 VCAM1 (0.54) MAPTVCAM1KDM4EHPGDMEN1
SCHEMBL989006 0.74 VCAM1 (0.56) MAPTVCAM1KDM4EHPGDMEN1
SCHEMBL5924211 0.74 ESR1 (0.57) MAPTVCAM1KDM4EMEN1KMT2A
SCHEMBL27648440 0.73 MAPT (0.44) MAPTVCAM1KDM4EHPGDMEN1
SCHEMBL21681844 0.72 VCAM1 (0.49) MAPTVCAM1KDM4EHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250302842-A1 HETEROCYCLIC COMPOUNDS USEFUL FOR TREATMENT OF CANCERS Jubilant Epipad LLC 2025-10-02 US disclosed
US-12357639-B2 Heterocyclic compounds as pad inhibitors Jubilant Epipad LLC (US) 2025-07-15 US disclosed
US-20240156831-A1 HETEROCYCLIC COMPOUNDS AS PAD INHIBITORS Jubilant Epipad LLC 2024-05-16 US disclosed
EP-3684767-B1 HETEROCYCLIC COMPOUNDS AS PAD INHIBITORS Jubilant Epipad LLC (US) 2024-04-24 EP disclosed
EP-3684767-B1 HETEROCYCLIC COMPOUNDS AS PAD INHIBITORS Jubilant Epipad LLC (US) 2024-04-24 EP disclosed
US-11833156-B2 Heterocyclic compounds as pad inhibitors Jubilant Epipad LLC (US) 2023-12-05 US disclosed
US-11833156-B2 Heterocyclic compounds as pad inhibitors Jubilant Epipad LLC (US) 2023-12-05 US disclosed
US-11833156-B2 Heterocyclic compounds as pad inhibitors Jubilant Epipad LLC (US) 2023-12-05 US disclosed
CN-111108105-B Heterocyclic compounds as PAD inhibitors 朱比兰特埃皮帕德有限公司 2023-03-31 CN disclosed
US-20200276206-A1 HETEROCYCLIC COMPOUNDS AS PAD INHIBITORS Jubilant Epipad LLC 2020-09-03 US disclosed
US-20200276206-A1 HETEROCYCLIC COMPOUNDS AS PAD INHIBITORS Jubilant Epipad LLC 2020-09-03 US disclosed
CN-111108105-A Heterocyclic compounds as PAD inhibitors 朱比兰特埃皮帕德有限公司 2020-05-05 CN disclosed
US-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 US disclosed
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 US disclosed
EP-1567488-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004050619-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2004-06-17 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 (6 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-11833156-B2 Heterocyclic compounds as pad inhibitors PADI4, PADI2, PADI1 MAPT 3841/4885VCAM1 686/4885KDM4E 1347/4885
US-20250302842-A1 HETEROCYCLIC COMPOUNDS USEFUL FOR TREATMENT OF CANCERS NES, VHL, ETV6 MAPT 2514/4885VCAM1 1423/4885KDM4E 2928/4885
US-20240156831-A1 HETEROCYCLIC COMPOUNDS AS PAD INHIBITORS PADI4, PADI2, PADI1 MAPT 4416/4885VCAM1 793/4885KDM4E 341/4885
US-20200276206-A1 HETEROCYCLIC COMPOUNDS AS PAD INHIBITORS PADI4, PADI2, PADI1 MAPT 3841/4885VCAM1 686/4885KDM4E 1347/4885
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 MAPT 16/4885VCAM1 843/4885KDM4E 1129/4885
US-12357639-B2 Heterocyclic compounds as pad inhibitors PADI4, PADI2, PADI1 MAPT 4416/4885VCAM1 793/4885KDM4E 341/4885

“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.