SCHEMBL11183

SCHEMBL11183

Nc1c(NC[C@@H]2CCN(C(=O)C3CC3)C2)cccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.44
RBP4 P02753 3/20 0.44
TTR P02766 1/20 0.44
POLB P06746 1/20 0.40
CYP2C19 P33261 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2D6 P10635 2/20 0.39
SLC9A1 P19634 2/20 0.39
CYP3A4 P08684 1/20 0.39
HTR2B P41595 1/20 0.39
MAPK14 Q16539 1/20 0.39
EPHX2 P34913 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.36
SSTR4 P31391 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL11074 0.85 RBP4 (0.40) SCDRBP4TTRPOLBCYP2C19
SCHEMBL5641 0.84 SCD (0.42) SCDRBP4TTRPOLBCYP2C19
SCHEMBL5643 0.84 SCD (0.42) SCDRBP4TTRPOLBCYP2C19
SCHEMBL5952 0.84 PTGER4 (0.41) MAPT
SCHEMBL11909934 0.84 NPC1 (0.41) EPHX2MAPTMEN1KMT2A
SCHEMBL6716 0.81 ATM (0.39) CYP2D6
SCHEMBL6714 0.81 ATM (0.39) CYP2D6
SCHEMBL10298 0.81 F10 (0.41) MEN1KMT2A
SCHEMBL10319 0.79 LIPC (0.46) POLBEPHX2KMT2A
SCHEMBL12076494 0.79 LIPC (0.48) POLBEPHX2KDM4EMAPTMEN1

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.