SCHEMBL5952231

SCHEMBL5952231

c1ccc2[nH]c(-c3cc(-c4nc5ccccc5[nH]4)[nH]n3)nc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.58
RAB9A P51151 6/20 0.58
SMN1; SMN2 Q16637 6/20 0.58
TP53 P04637 4/20 0.58
KDM4E B2RXH2 4/20 0.58
ALDH1A1 P00352 4/20 0.58
PKM P14618 3/20 0.58
HSD17B10 Q99714 3/20 0.58
ABCB11 O95342 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
AURKA O14965 1/20 0.57
CDK1 P06493 1/20 0.57
CDK2 P24941 1/20 0.57
AURKB Q96GD4 1/20 0.57
HPGD P15428 3/20 0.54
METAP2 P50579 3/20 0.54
ALOX15 P16050 2/20 0.54
TSHR P16473 2/20 0.54
METAP1 P53582 2/20 0.54
LMNA P02545 1/20 0.54

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
SCHEMBL3844546 0.89 RAB9A (0.60) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL1789360 0.89 RAB9A (0.60) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL17255171 0.84 RAB9A (0.50) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL17255209 0.84 NPC1 (0.64) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL15701353 0.84 RAB9A (0.50) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL3842984 0.84 SMN1; SMN2 (0.64) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL17255154 0.84 NPC1 (0.52) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL1789647 0.84 SMN1; SMN2 (0.64) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL13373757 0.83 NPC1 (0.58) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL1528347 0.83 NPC1 (0.58) NPC1RAB9ASMN1; SMN2TP53KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US claimed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP claimed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US claimed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 WO claimed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 NPC1 3302/4885RAB9A 810/4885SMN1; SMN2 4210/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A NPC1 2551/4885RAB9A 955/4885SMN1; SMN2 3516/4885

“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.