SCHEMBL3977745

SCHEMBL3977745

COc1cccc(CNc2nccn2Cc2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 3/20 0.53
▸ GAA P10253 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ YTHDC1 Q96MU7 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ MAPT P10636 5/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ TP53 P04637 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ LPO P22079 1/20 0.44
▸ LMNA P02545 1/20 0.44

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
SCHEMBL5529009 0.90 P2RX7 (0.44) P2RX7GAARXFP1YTHDC1SMN1; SMN2
SCHEMBL3987225 0.83 FDPS (0.48) P2RX7MAPTMEN1KMT2AALDH1A1
SCHEMBL3982626 0.77 CYP1A2 (0.54) P2RX7MAPTKMT2ATP53POLB
SCHEMBL3977978 0.76 LMNA (0.42) P2RX7GAAMAPTMEN1KMT2A
SCHEMBL3981411 0.76 MEN1 (0.47) P2RX7MAPTMEN1KMT2ATP53
SCHEMBL3985680 0.76 TP53 (0.47) SMN1; SMN2MAPTALDH1A1TP53TSHR
SCHEMBL3982598 0.74 FDPS (0.46) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL10593221 0.71 LPO (0.58) P2RX7GAARXFP1MAPTMEN1
SCHEMBL3982368 0.69 HSP90B1 (0.48) SMN1; SMN2MAPTMEN1KMT2ATP53
SCHEMBL3981529 0.69 CHRM2 (0.44) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572921-B2 Substituted benzylimidazoles useful for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-11 — — US claimed
EP-1869012-A1 SUBSTITUTED BENZYLIMIDAZOLES USEFUL FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-26 — — EP claimed
US-20060252811-A1 SUBSTITUTED BENZYLIMIDAZOLES USEFUL FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-09 — — US claimed
WO-2006107923-A1 SUBSTITUTED BENZYLIMIDAZOLES USEFUL FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-12 — — WO claimed
US-7572921-B2 Substituted benzylimidazoles useful for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-11 — — US disclosed
US-7572921-B2 Substituted benzylimidazoles useful for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-11 — — US 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 (1 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-20060252811-A1 SUBSTITUTED BENZYLIMIDAZOLES USEFUL FOR THE TREATMENT OF INFLAMMATORY DISEASES IL4I1, NFKBIA, BRD4 P2RX7 912/4885GAA 830/4885RXFP1 4189/4885

“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.

Send feedback