SCHEMBL5952646

SCHEMBL5952646

O=[N+]([O-])c1cn(C2CCCCO2)nc1-c1nc2cc3c(cc2[nH]1)CCC3

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.33
KDM5B Q9UGL1 1/20 0.32
P2RY6 Q15077 1/20 0.30

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
SCHEMBL5952627 0.84 ABL1 (0.32) ABL1KDM5B
SCHEMBL13375210 0.82 ABL1 (0.35) ABL1KDM5B
SCHEMBL5952354 0.82 MAPT (0.37) ABL1KDM5B
SCHEMBL13375330 0.82 ABL1 (0.34) ABL1KDM5B
SCHEMBL5952614 0.82 MAPT (0.34) ABL1KDM5B
SCHEMBL13375334 0.82 ABL1 (0.34) ABL1
SCHEMBL3926150 0.82 MAPT (0.41) ABL1
SCHEMBL5952622 0.81 ATR (0.35) ABL1KDM5B
SCHEMBL3934079 0.81 FGFR1 (0.45)
SCHEMBL13373566 0.81 SYK (0.35) ABL1KDM5B

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-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
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 (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 ABL1 55/4885KDM5B 455/4885P2RY6 1087/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A ABL1 63/4885KDM5B 668/4885P2RY6 1384/4885

“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.