SCHEMBL5952740

SCHEMBL5952740

O=CCc1nc2ccccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 1/20 0.59
POLB P06746 1/20 0.59
GAA P10253 1/20 0.56
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
BCHE P06276 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
CHRM1 P11229 1/20 0.54
PKM P14618 1/20 0.53
TSHR P16473 2/20 0.53
LMNA P02545 1/20 0.53
PDE10A Q9Y233 1/20 0.53
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL833457 0.82 POLB (0.66) DDAH1POLBGAANPC1RAB9A
SCHEMBL463268 0.81 DDAH1 (0.59) DDAH1POLBGAANPC1RAB9A
SCHEMBL28799253 0.81 DDAH1 (0.59) DDAH1POLBGAANPC1RAB9A
SCHEMBL14128454 0.81 DDAH1 (0.65) DDAH1POLBGAANPC1RAB9A
Hydrogen Sulfide SCHEMBL29094907 0.80 DDAH1 (0.58) DDAH1POLBGAANPC1RAB9A
SCHEMBL28633738 0.80 DDAH1 (0.58) DDAH1POLBGAANPC1RAB9A
Iodide SCHEMBL29040436 0.80 DDAH1 (0.58) DDAH1POLBGAANPC1RAB9A
Phosphine SCHEMBL28188475 0.80 DDAH1 (0.58) DDAH1POLBGAANPC1RAB9A
SCHEMBL10636351 0.79 DDAH1 (0.56) DDAH1POLBGAANPC1RAB9A
SCHEMBL1070188 0.79 DDAH1 (0.56) DDAH1POLBGAANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20010047015-A1 Pharmaceutical composition for inhibiting the growth of cancers CAMDEN JAMES BERGER (US) 2001-11-29 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 (3 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 DDAH1 3202/4885POLB 2261/4885GAA 264/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A DDAH1 2113/4885POLB 2841/4885GAA 352/4885
US-20010047015-A1 Pharmaceutical composition for inhibiting the growth of cancers MKI67, CCNI, MYC DDAH1 1787/4885POLB 92/4885GAA 985/4885

“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.