SCHEMBL10319

SCHEMBL10319

Nc1ccc(C(F)(F)F)cc1NC[C@@H]1CCN(C(=O)C2CC2)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPC P11150 1/20 0.46
LIPG Q9Y5X9 1/20 0.46
EPHX2 P34913 3/20 0.43
HDAC2 Q92769 1/20 0.39
CCR2 P41597 3/20 0.39
CRHR1 P34998 1/20 0.39
POLB P06746 1/20 0.39
TACR1 P25103 1/20 0.39
CCRL2 O00421 1/20 0.38
CNR1 P21554 1/20 0.38
KMT2A Q03164 1/20 0.38
USP30 Q70CQ3 1/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAP3K12 Q12852 1/20 0.37
BTK Q06187 1/20 0.37

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
SCHEMBL10580 0.92 LIPC (0.48) LIPCLIPGEPHX2CCR2CRHR1
SCHEMBL12076494 0.92 LIPC (0.48) LIPCLIPGEPHX2CCR2CRHR1
SCHEMBL4032 0.86 HDAC2 (0.48) HDAC2GAA
SCHEMBL4030 0.86 HDAC2 (0.48) HDAC2GAA
SCHEMBL7209 0.84 STAT3 (0.45) LIPCLIPGEPHX2POLBKMT2A
SCHEMBL7207 0.84 STAT3 (0.45) LIPCLIPGEPHX2POLBKMT2A
SCHEMBL11908825 0.84 USP30 (0.39) HDAC2KMT2AUSP30
SCHEMBL6282 0.82 STAT3 (0.54) LIPCLIPGPOLBKMT2AGAA
SCHEMBL6280 0.82 STAT3 (0.54) LIPCLIPGPOLBKMT2AGAA
SCHEMBL10293 0.81 ALDH1A1 (0.48)

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 LIPC 168/4885LIPG 567/4885EPHX2 1976/4885

“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.