SCHEMBL5952736

SCHEMBL5952736

Nc1c[nH]nc1-c1nc2cc(Cl)c(Cl)cc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 4/20 0.48
MEN1 O00255 4/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
KMT2A Q03164 4/20 0.43
GAA P10253 4/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 3/20 0.40
TP53 P04637 3/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.40
USP2 O75604 1/20 0.40
THRB P10828 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL5952131 0.89 AMY1A (0.41) RHEBMEN1NPC1RAB9AKMT2A
SCHEMBL5952296 0.86 AMY1A (0.43) RHEBNPC1GAACHEK1
SCHEMBL13375197 0.85 CBFB (0.47) RHEBMEN1NPC1RAB9AKMT2A
SCHEMBL5951395 0.82 ALDH1A1 (0.40) MEN1NPC1RAB9AKMT2AGAA
SCHEMBL5952198 0.82 FABP6 (0.51) MEN1NPC1RAB9AKMT2AMAPT
SCHEMBL546495 0.79 AMY1A (0.46) MEN1NPC1KMT2AALDH1A1TP53
SCHEMBL5951924 0.78 GRIN2D (0.33) MEN1NPC1RAB9AKMT2AGAA
SCHEMBL6283876 0.77 NT5E (0.35) MEN1NPC1RAB9AKMT2AGAA
SCHEMBL5952807 0.77 NPC1 (0.46) RHEBMEN1NPC1RAB9AKMT2A
SCHEMBL5951688 0.77 AMY1A (0.42) NPC1RAB9AGAAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US claimed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 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-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
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 RHEB 3773/4885MEN1 2639/4885NPC1 3302/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A RHEB 4225/4885MEN1 1460/4885NPC1 2551/4885

“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.