SCHEMBL4745249

SCHEMBL4745249

CC(=O)C(Cc1ccc(Br)cc1)N(C)C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.44
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
MME P08473 3/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
EPHX1 P07099 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39

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
SCHEMBL21447175 0.84 EPHX1 (0.49) ACACBALDH1A1MAPTMMEMEN1
SCHEMBL21447451 0.84 EPHX1 (0.49) ACACBALDH1A1MAPTMMEMEN1
SCHEMBL15778554 0.84 ALDH1A1 (0.43) ACACBALDH1A1MAPTMEN1KMT2A
SCHEMBL16743936 0.84 ESR1 (0.56) ALDH1A1MAPTOPRM1OPRD1TAAR1
SCHEMBL18747135 0.84 ESR1 (0.56) ALDH1A1MAPTOPRM1OPRD1TAAR1
SCHEMBL14665171 0.83 MME (0.41) ACACBALDH1A1MAPTMMEMEN1
SCHEMBL13323473 0.82 ALDH1A1 (0.45) ACACBALDH1A1MAPTMEN1KMT2A
SCHEMBL19230448 0.82 TRPA1 (0.44) ALDH1A1MAPTMEN1KMT2AOPRM1
SCHEMBL684451 0.82 ALDH1A1 (0.45) ACACBALDH1A1MAPTMEN1KMT2A
SCHEMBL19230442 0.82 TRPA1 (0.44) ALDH1A1MAPTMEN1KMT2AOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735398-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-27 US disclosed
US-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 US disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 US disclosed
WO-2008108602-A1 NOVEL PHENYLPROPIONIC ACID DERIVATIVES AS PEROXISOME PROLIFERATOR-ACTIVATED GAMMA RECEPTOR MODULATORS, METHOD OF THE SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG-A PHARM. CO., LTD. (KR) 2008-09-12 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 (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-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 ACACB 221/4885ALDH1A1 3778/4885MAPT 2725/4885
US-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 ACACB 221/4885ALDH1A1 3778/4885MAPT 2725/4885

“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.