SCHEMBL5641

SCHEMBL5641

O=C(C1CC1)N1CC[C@@H](CNc2cccc(C(F)(F)F)c2[N+](=O)[O-])C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.42
RBP4 P02753 2/20 0.41
TTR P02766 1/20 0.41
POLB P06746 1/20 0.38
SLC2A1 P11166 1/20 0.37
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
HTR2B P41595 1/20 0.36
MAPK14 Q16539 1/20 0.36
PTGER4 P35408 1/20 0.36
EPHX2 P34913 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
F10 P00742 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
SLC9A1 P19634 1/20 0.35
MAPT P10636 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
SCHEMBL5643 1.00 SCD (0.42) SCDRBP4TTRPOLBSLC2A1
SCHEMBL11909901 0.90 RBP4 (0.44) SCDRBP4TTRPOLBSLC2A1
SCHEMBL11909904 0.90 RBP4 (0.44) SCDRBP4TTRPOLBSLC2A1
SCHEMBL11909767 0.85 PTGER4 (0.45) PTGER4ALDH1A1LMNAHTTF10
SCHEMBL6775 0.85 ALDH1A1 (0.48) POLBPTGER4ALDH1A1LMNAHTT
SCHEMBL6773 0.85 ALDH1A1 (0.48) POLBPTGER4ALDH1A1LMNAHTT
SCHEMBL6572 0.84 HTT (0.38) SCDRBP4TTRSLC2A1CYP2C9
SCHEMBL6574 0.84 HTT (0.38) SCDRBP4TTRSLC2A1CYP2C9
SCHEMBL11183 0.84 SCD (0.44) SCDRBP4TTRPOLBCYP2C9
SCHEMBL6047 0.83 ALDH1A1 (0.42) CYP2C9CYP2C19MAPK14PTGER4ALDH1A1

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 SCD 4/4885RBP4 1870/4885TTR 4719/4885

“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.