SCHEMBL6714

SCHEMBL6714

N#Cc1cccc(NC[C@@H]2CCN(C(=O)C3CC3)C2)c1N

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
FASN P49327 1/20 0.38
ELANE P08246 3/20 0.38
KDM1A O60341 2/20 0.36
KCNH2 Q12809 1/20 0.35
F10 P00742 2/20 0.35
RORC P51449 1/20 0.35
PAX8 Q06710 2/20 0.35
MAP4K1 Q92918 1/20 0.35
VNN1 O95497 1/20 0.35
CYP2D6 P10635 1/20 0.34
OPRK1 P41145 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL6716 1.00 ATM (0.39) ATMFASNELANEKDM1AKCNH2
SCHEMBL6395 0.85 ATM (0.39) ATMFASNELANEKDM1AKCNH2
SCHEMBL6393 0.85 ATM (0.39) ATMFASNELANEKDM1AKCNH2
SCHEMBL6436 0.84 ATM (0.37) ATMFASNELANEKDM1AF10
SCHEMBL6438 0.84 ATM (0.37) ATMFASNELANEKDM1AF10
SCHEMBL5952 0.84 PTGER4 (0.41) FASNF10ALDH1A1
SCHEMBL11909934 0.84 NPC1 (0.41) F10ALDH1A1
SCHEMBL11183 0.81 SCD (0.44) CYP2D6
SCHEMBL10298 0.81 F10 (0.41) FASNKDM1AF10ALDH1A1
SCHEMBL6062 0.79 FASN (0.44) FASNKDM1AKCNH2PAX8VNN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493310-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline LLC (US) 2012-09-05 EP disclosed
US-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-08-16 US disclosed
WO-2011056635-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-05-12 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 (1 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-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 ATM 2847/4885FASN 1/4885ELANE 3617/4885

“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.