SCHEMBL4714545

SCHEMBL4714545

O=C(O)c1ccc(NC(=O)c2ccccc2Cl)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
SMO Q99835 4/20 0.51
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
TP53 P04637 1/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
TNF P01375 1/20 0.48
NOD1 Q9Y239 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KCNK3 O14649 1/20 0.48
KCNK9 Q9NPC2 1/20 0.48

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
SCHEMBL28482288 0.79 RNASEH1 (0.68) HPGDTP53ALDH1A1MEN1KMT2A
SCHEMBL4716373 0.75 MAPK14 (0.59) HPGDCYP1A2CYP2C19ALDH1A1MEN1
SCHEMBL6735515 0.73 PKM (0.69) HPGDCYP1A2L3MBTL1TP53SMN1; SMN2
SCHEMBL1203522 0.73 SMO (0.80) HPGDCYP1A2CYP2C19SMOPOLB
SCHEMBL19206638 0.72 NPC1 (0.54) L3MBTL1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL28513667 0.72 RNASEH1 (0.55) L3MBTL1TP53MEN1KMT2ASMN1; SMN2
SCHEMBL1514283 0.72 HPGD (0.77) HPGDCYP1A2CYP2C19SMOPOLB
Water SCHEMBL27602058 0.72 SMO (0.77) HPGDCYP1A2CYP2C19SMOPOLB
SCHEMBL1543011 0.71 ALDH1A1 (0.58) HPGDPOLBL3MBTL1TP53ALDH1A1
SCHEMBL4254327 0.70 SMO (0.79) SMOTP53MEN1KMT2ASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1877401-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM Elan Pharmaceuticals Inc. (US) 2008-01-16 EP claimed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US claimed
WO-2006113140-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-10-26 WO claimed
EP-1877401-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM Elan Pharmaceuticals Inc. (US) 2008-01-16 EP disclosed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US disclosed
WO-2006113140-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-10-26 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-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism BDKRB1, BDKRB2, NPBWR1 HPGD 262/4885CYP1A2 2890/4885CYP2C19 2370/4885

“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.