SCHEMBL5953056

SCHEMBL5953056

Clc1ccc(-c2ccc3nc(-c4[nH]nc5ccccc45)[nH]c3c2)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
TP53 P04637 2/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
CYP3A4 P08684 1/20 0.48
MAPK1 P28482 1/20 0.48
FTO Q9C0B1 1/20 0.48
NPBWR1 P48145 1/20 0.45
ADORA3 P0DMS8 1/20 0.43
KDR P35968 4/20 0.42
MET P08581 1/20 0.42
CDK4 P11802 3/20 0.42
CCNA2 P20248 3/20 0.42
CCND1 P24385 3/20 0.42
CDK2 P24941 3/20 0.42

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
SCHEMBL5951223 0.87 MEN1 (0.50) GUSBMEN1KMT2AKDM4EALDH1A1
SCHEMBL5952578 0.85 MEN1 (0.51) GUSBMEN1KMT2AKDM4EALDH1A1
SCHEMBL5952784 0.84 KDR (0.47) MEN1KMT2AKDM4EALDH1A1TP53
SCHEMBL5952270 0.84 KDR (0.51) MEN1KMT2AKDM4EALDH1A1TP53
SCHEMBL5952574 0.83 CACNA1B (0.46) MEN1KMT2AKDM4EALDH1A1TP53
SCHEMBL5951245 0.81 KDR (0.49) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL5952146 0.81 PDE10A (0.53) MEN1KMT2AKDM4EALDH1A1TP53
SCHEMBL4916396 0.81 PDE10A (0.53) MEN1KMT2AKDM4EALDH1A1TP53
SCHEMBL5952657 0.81 NPC1 (0.50) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL5951902 0.80 RET (0.48) KDM4EKDRMETCDK4CCNA2

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 11 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
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US 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-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors AVENTIS PHARMA S.A. (FR) 2008-05-29 US disclosed
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors AVENTIS PHARMA S.A. (FR) 2008-05-29 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
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 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 GUSB 1543/4885MEN1 2639/4885KMT2A 1678/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A GUSB 1989/4885MEN1 1460/4885KMT2A 1844/4885
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors KDR, MUSK, FLT4 GUSB 4545/4885MEN1 4235/4885KMT2A 2919/4885

“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.