SCHEMBL1428632

SCHEMBL1428632

O=Cc1ccc(-c2nc3ccccn3c2Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.55
RAB9A P51151 6/20 0.55
ALDH1A1 P00352 5/20 0.55
KDM4E B2RXH2 4/20 0.51
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPSR1 Q6W5P4 2/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NTRK1 P04629 1/20 0.43
HPGD P15428 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40

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
SCHEMBL8873874 0.83 NPC1 (0.71) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL973109 0.82 NPC1 (0.64) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL1428784 0.81 AKT1 (0.60) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL18221717 0.80 NPC1 (0.63) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL28669282 0.80 KDM4E (0.58) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL15825411 0.80 ALDH1A1 (0.62) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL25790023 0.79 KDM4E (0.57) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL1429286 0.78 ALDH1A1 (0.67) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL1428788 0.78 AKT1 (0.50) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL8874527 0.77 PTGS2 (0.57) NPC1RAB9AALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5658857-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-08-19 US claimed
EP-0683779-A1 IMIDAZOAZINES BAYER AG (DE) 1995-11-29 EP claimed
WO-1994018198-A1 IMIDAZOAZINES BAYER AKTIENGESELLSCHAFT (DE) 1994-08-18 WO claimed
US-9387204-B2 Fused bicyclic imidazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-07-12 US disclosed
US-20140088110-A1 FUSED BICYCLIC IMIDAZOLES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-27 US disclosed
US-8592591-B2 Fused bicyclic imidazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-26 US disclosed
EP-2176259-B1 FUSED IMIDAZOLES FOR CANCER TREATMENT BAYER SCHERING PHARMA AG (DE) 2011-03-30 EP disclosed
EP-2176259-A1 FUSED IMIDAZOLES FOR CANCER TREATMENT Bayer Schering Pharma Aktiengesellschaft (DE) 2010-04-21 EP disclosed
US-20090156604-A1 FUSED BICYCLIC IMIDAZOLES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-06-18 US disclosed
EP-2062893-A1 Fused imidazoles for cancer treatment Bayer Schering Pharma AG (DE) 2009-05-27 EP disclosed
WO-2009021990-A1 FUSED IMIDAZOLES FOR CANCER TREATMENT BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-19 WO disclosed
US-5658857-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-08-19 US disclosed
EP-0683779-A1 IMIDAZOAZINES BAYER AG (DE) 1995-11-29 EP disclosed
WO-1994018198-A1 IMIDAZOAZINES BAYER AKTIENGESELLSCHAFT (DE) 1994-08-18 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-20140088110-A1 FUSED BICYCLIC IMIDAZOLES MTOR, AKT2, AKT1 NPC1 1448/4885RAB9A 457/4885ALDH1A1 3757/4885
US-20090156604-A1 FUSED BICYCLIC IMIDAZOLES MTOR, AKT2, AKT1 NPC1 1448/4885RAB9A 457/4885ALDH1A1 3757/4885

“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.