SCHEMBL4397210

SCHEMBL4397210

Cc1onc(NC(=O)O)c1C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
FAAH O00519 6/20 0.40
ROCK1 Q13464 1/20 0.39
EPHX2 P34913 1/20 0.36
LMNA P02545 1/20 0.35
RECQL P46063 1/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL15074663 0.82 ALDH1A1 (0.40) KDM4ETDP1FAAHROCK1EPHX2
SCHEMBL4657505 0.77 KMT2A (0.41) KDM4ELMNARECQLALDH1A1NPC1
SCHEMBL13664090 0.77 FGFR1 (0.38) KDM4ETDP1ROCK1EPHX2ALDH1A1
SCHEMBL19026668 0.77 MLYCD (0.39) KDM4ETDP1ROCK1EPHX2ALDH1A1
SCHEMBL19563752 0.75 IDO1 (0.60) KDM4ETDP1FAAHROCK1LMNA
Carbamic Acid SCHEMBL3227372 0.75 KDM4E (0.57) KDM4ETDP1EPHX2LMNARECQL
SCHEMBL3178351 0.74 ROCK1 (0.35) KDM4ETDP1FAAHROCK1ALDH1A1
SCHEMBL11289967 0.73 MLYCD (0.53) KDM4ETDP1FAAHLMNAALDH1A1
SCHEMBL3170188 0.73 CSNK2A2 (0.37) KDM4ETDP1ROCK1ALDH1A1
SCHEMBL17324778 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053982-A1 ETHER BENZYLIDENE PIPERIDINE 5-MEMBERED ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS PFIZER INC. (US) 2011-03-03 US disclosed
US-20110053950-A1 4-BENZYLIDENE-3-METHYLPIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS PFIZER, INC. 2011-03-03 US disclosed
WO-2009127944-A1 ETHER BENZYLIDENE PIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS PFIZER INC. (US) 2009-10-22 WO disclosed
CN-1117738-C Endothelin antagonists: N-[[2'-[[4,5-dimethyl-3-isoxazolyl) amino] sulfonyl]-4-(2-oxazolyl) [1,1'-biphenyl]-2-yl] methyl] BRISTOL MYERS SQUIBB CO (US) 2003-08-13 CN disclosed
CN-1244862-A Endothelin antagonists N- [ [2' - [ [ (4, 5-dimethyl-3-isoxazolyl) amino ] sulfonyl ] -4- (2-oxazolyl) [1,1' biphenyl ] -2-yl ] methyl ] -N, 3, 3-trimethylbutanamide and N- (4, 5-dimethyl-3-isoxazolyl) -2 ' - [3, 3-dimethyl-2-oxo-1-pyrrolidinyl) methyl ] -4 ' -2-oxazolyl) [1,1' -biphenyl ] -2-sulfonamide and salts thereof BRISTOL MYERS SQUIBB CO (US) 2000-02-16 CN 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-20110053982-A1 ETHER BENZYLIDENE PIPERIDINE 5-MEMBERED ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS FAAH, FAAH2, CNR2 KDM4E 542/4885TDP1 4125/4885FAAH 1/4885
US-20110053950-A1 4-BENZYLIDENE-3-METHYLPIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS FAAH, FAAH2, CNR2 KDM4E 626/4885TDP1 3887/4885FAAH 1/4885

“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.