SCHEMBL13643239

SCHEMBL13643239

C[C@@H](Cc1ccc(Br)cc1)C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.57
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ACACB O00763 1/20 0.46
MME P08473 4/20 0.43
ALOX5 P09917 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL2720266 1.00 EPHX1 (0.57) EPHX1KMT2AMEN1NPC1RAB9A
SCHEMBL22937469 0.82 EPHX1 (0.50) EPHX1NPC1RAB9AALOX5
SCHEMBL4597385 0.82 MEN1 (0.57) EPHX1KMT2AMEN1NPC1RAB9A
SCHEMBL14032489 0.82 TAAR1 (0.59) EPHX1SMN1; SMN2
SCHEMBL23643109 0.82 EPHX1 (0.50) EPHX1ACACBALOX5SMN1; SMN2
SCHEMBL23643108 0.82 EPHX1 (0.50) EPHX1ALOX5SMN1; SMN2
SCHEMBL22235331 0.82 KMT2A (0.53) EPHX1KMT2AMEN1NPC1RAB9A
SCHEMBL21129085 0.82 MEN1 (0.57) EPHX1KMT2AMEN1NPC1RAB9A
SCHEMBL22593510 0.82 EPHX1 (0.50) EPHX1NPC1RAB9AACACBALOX5
SCHEMBL934530 0.82 TAAR1 (0.59) EPHX1SMN1; SMN2

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
US-8772507-B2 Imidazole-benzamide anti-cancer agents CYTOKINETICS, INC. (US) 2014-07-08 US disclosed
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS QIAN XIANGPING (US) 2013-04-18 US disclosed
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-11-08 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-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 EPHX1 2410/4885KMT2A 1501/4885MEN1 1302/4885
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS KIF5B, KIF2C, PLK1 EPHX1 2286/4885KMT2A 1491/4885MEN1 1475/4885

“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.