SCHEMBL5951822

SCHEMBL5951822

COc1cc(N)c(C(N)=O)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.58
NPC1 O15118 1/20 0.58
KDM4E B2RXH2 2/20 0.51
HTR4 Q13639 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
HTR3A P46098 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 2/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44
HTR3E A5X5Y0 1/20 0.44
SLC22A1 O15245 1/20 0.44
HTR3B O95264 1/20 0.44
LMNA P02545 1/20 0.44
MPO P05164 1/20 0.44
ADRA2A P08913 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
SCHEMBL856225 0.86 GAA (0.58) GAANPC1KDM4EHTR4CYP1A2
SCHEMBL24010000 0.86 GAA (0.58) GAANPC1KDM4EHTR4CYP1A2
SCHEMBL30288399 0.86 GAA (0.58) GAANPC1KDM4EHTR4CYP1A2
SCHEMBL29918211 0.86 GAA (0.58) GAANPC1KDM4EHTR4CYP1A2
SCHEMBL725809 0.86 GAA (0.73) GAANPC1HTR4CYP1A2CYP2D6
SCHEMBL18840053 0.85 GAA (0.49) GAANPC1KDM4ETSHRSMN1; SMN2
SCHEMBL3876555 0.85 GAA (0.53) GAANPC1KDM4ECYP3A4SMN1; SMN2
SCHEMBL348568 0.85 KDM4E (0.69) GAAKDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL7853424 0.84 GAA (0.76) GAANPC1KDM4EHTR4CYP1A2
Hydrochloric Acid SCHEMBL724940 0.84 GAA (0.71) GAANPC1HTR4CYP1A2CYP2D6

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-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 GAA 264/4885NPC1 3302/4885KDM4E 522/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A GAA 352/4885NPC1 2551/4885KDM4E 645/4885

“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.