SCHEMBL130408

SCHEMBL130408

COc1ccc(NC(C)=O)cc1C(C)=O

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
MAPK1 P28482 2/20 0.61
POLB P06746 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.53
RORC P51449 1/20 0.53
CDK1 P06493 1/20 0.53
KCNK3 O14649 1/20 0.51
KCNK9 Q9NPC2 1/20 0.51
HTT P42858 3/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
LMNA P02545 1/20 0.51
ALOX15 P16050 1/20 0.51
MAPT P10636 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL7000380 0.88 ALDH1A1 (0.59) ALDH1A1MAPK1POLBSMN1; SMN2CDK1
SCHEMBL7000701 0.88 SMN1; SMN2 (0.64) ALDH1A1MAPK1POLBSMN1; SMN2CDK1
SCHEMBL12505394 0.87 ALDH1A1 (0.57) ALDH1A1MAPK1POLBSMN1; SMN2CDK1
SCHEMBL1493992 0.86 MAPK1 (0.57) ALDH1A1MAPK1POLBSMN1; SMN2RORC
SCHEMBL10033006 0.85 ALDH1A1 (0.63) ALDH1A1MAPK1POLBSMN1; SMN2CDK1
SCHEMBL3833657 0.84 ALDH1A1 (0.50) ALDH1A1MAPK1POLBSMN1; SMN2KCNK3
SCHEMBL1851780 0.84 SMN1; SMN2 (0.68) ALDH1A1MAPK1POLBSMN1; SMN2HTT
SCHEMBL30492996 0.84 SMN1; SMN2 (0.68) ALDH1A1MAPK1POLBSMN1; SMN2HTT
SCHEMBL7563176 0.82 LMNA (0.61) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL5952099 0.81 ALDH1A1 (0.62) ALDH1A1MAPK1POLBSMN1; SMN2RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1727803-B3 PROCESSES FOR PREPARING SUBSTITUTED N-ARYL-N'-[3-(1H-PYRAZOL-5-YL)PHENYL] UREAS AND INTERMEDIATES THEREOF ARENA PHARM INC (US) 2014-04-23 EP disclosed
EP-1727803-B3 PROCESSES FOR PREPARING SUBSTITUTED N-ARYL-N'-[3-(1H-PYRAZOL-5-YL)PHENYL] UREAS AND INTERMEDIATES THEREOF ARENA PHARM INC (US) 2014-04-23 EP disclosed
EP-1727803-B1 PROCESSES FOR PREPARING SUBSTITUTED N-ARYL-N'-[3-(1H-PYRAZOL-5-YL)PHENYL] UREAS AND INTERMEDIATES THEREOF ARENA PHARM INC (US) 2012-03-07 EP disclosed
US-7812176-B2 reacting hydrazone containing compound with isocyanate compound, deprotecting, halogenating; cyclization; 5-HT2A serotonin receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
US-7812176-B2 reacting hydrazone containing compound with isocyanate compound, deprotecting, halogenating; cyclization; 5-HT2A serotonin receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
US-7812176-B2 reacting hydrazone containing compound with isocyanate compound, deprotecting, halogenating; cyclization; 5-HT2A serotonin receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
US-20070293685-A1 reacting hydrazone containing compound with isocyanate compound, deprotecting, halogenating; cyclization; 5-HT2A serotonin receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2007-12-20 US disclosed
US-20070293685-A1 reacting hydrazone containing compound with isocyanate compound, deprotecting, halogenating; cyclization; 5-HT2A serotonin receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2007-12-20 US disclosed
US-20070293685-A1 reacting hydrazone containing compound with isocyanate compound, deprotecting, halogenating; cyclization; 5-HT2A serotonin receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2007-12-20 US disclosed
EP-1727803-A1 PROCESSES FOR PREPARING SUBSTITUTED N-ARYL-N'-[3-(1H-PYRAZOL-5-YL)PHENYL] UREAS AND INTERMEDIATES THEREOF Arena Pharmaceuticals, Inc. (US) 2006-12-06 EP disclosed
WO-2005103011-A1 PROCESSES FOR PREPARING SUBSTITUTED N-ARYL-N’-[3-(1H-PYRAZOL-5-YL) PHENYL] UREAS AND INTERMEDIATES THEREOF ARENA PHARMACEUTICALS, INC. (US) 2005-11-03 WO disclosed
US-6096766-A 3-benzylaminopiperidines as tachykinin receptor antagonists MERCK SHARP & DOHME LTD. (GB) 2000-08-01 US disclosed
EP-0866790-A1 3-BENZYLAMINOPYRROLIDINES AND -PIPERIDINES AS TACHYKININ RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 1998-09-30 EP disclosed
WO-1997021702-A1 3-BENZYLAMINOPYRROLIDINES AND -PIPERIDINES AS TACHYKININ RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1997-06-19 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-20070293685-A1 reacting hydrazone containing compound with isocyanate compound, deprotecting, halogenating; cyclization; 5-HT2A serotonin receptor modulators HTR5A, HTR2C, HTR2A ALDH1A1 675/4885MAPK1 2331/4885POLB 3410/4885

“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.