SCHEMBL5387633

SCHEMBL5387633

COc1ccc(-n2nc(CCCO)cc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.69
ALOX5 P09917 1/20 0.69
CCKAR P32238 10/20 0.61
RXRA P19793 2/20 0.60
RXRB P28702 2/20 0.60
RXRG P48443 2/20 0.60
PTGS1 P23219 3/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
TSHR P16473 1/20 0.58
CYP2C19 P33261 1/20 0.58
THPO P40225 1/20 0.58
BLM P54132 1/20 0.58
PMP22 Q01453 1/20 0.58
HIF1A Q16665 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
MALT1 Q9UDY8 2/20 0.56
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55

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
SCHEMBL9520914 0.89 CCKAR (0.61) PTGS2ALOX5CCKARRXRARXRB
SCHEMBL9519044 0.88 PTGS2 (0.66) PTGS2ALOX5CCKARRXRARXRB
SCHEMBL9520376 0.88 PTGS2 (0.66) PTGS2ALOX5CCKARRXRARXRB
SCHEMBL9081722 0.88 CA1 (0.69) PTGS2ALOX5CCKARRXRARXRB
SCHEMBL9519303 0.88 PTGS2 (0.65) PTGS2ALOX5CCKARRXRARXRB
SCHEMBL9519309 0.86 PTGS2 (0.63) PTGS2ALOX5CCKARRXRARXRB
SCHEMBL9519155 0.86 PTGS2 (0.68) PTGS2ALOX5CCKARRXRARXRB
SCHEMBL9519128 0.85 PTGS2 (0.57) PTGS2ALOX5CCKARRXRARXRB
SCHEMBL9522506 0.85 PTGS2 (0.67) PTGS2ALOX5CCKARRXRARXRB
SCHEMBL9520169 0.84 RXRA (0.56) PTGS2ALOX5RXRARXRBRXRG

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0248594-B1 Pharmacologically active 1,5-diaryl-3-substituted-pyrazoles and method for synthesizing the same ORTHO PHARMA CORP (US) 1993-11-24 EP claimed
US-5164381-A Cardiovascular, antiinflammatory ORTHO PHARMACEUTICAL CORPORATION (US) 1992-11-17 US claimed
US-4826868-A 1,5-Diaryl-3-substituted pyrazoles pharmaceutical compositions and use ORTHO PHARMACEUTICAL CORPORATION (US) 1989-05-02 US claimed
EP-0248594-A2 Pharmacologically active 1,5-diaryl-3-substituted-pyrazoles and method for synthesizing the same ORTHO PHARMACEUTICAL CORPORATION (US) 1987-12-09 EP claimed
US-7247745-B2 Process for preparing 1,5-diaryl-3-substituted pyrazoles ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-07-24 US disclosed
EP-1413575-B1 Process for preparing derivatives of ¬(1,5-diaryl)pyrazol-3-yl|propanoic acid ORTHO MCNEIL PHARM INC (US) 2006-10-11 EP disclosed
US-20060004208-A1 Process for preparing 1,5-diaryl-3-substituted pyrazoles ABDEL-MAGID AHMED F 2006-01-05 US disclosed
US-6953860-B2 Process for preparing 1,5-diaryl-3-substituted pyrazoles ABDEL-MAGID AHMED F 2005-10-11 US disclosed
EP-1413575-A9 Process for preparing derivatives of [(1,5-diaryl)pyrazol-3-yl]propanoic acid Ortho-McNeil Pharmaceutical, Inc. (US) 2005-06-29 EP disclosed
US-20040230060-A1 Process for preparing 1,5-diaryl-3-substituted pyrazoles ABDEL-MAGID AHMED F (US) 2004-11-18 US disclosed
EP-1144382-B1 PROCESS FOR PREPARING 1,5-DIARYL-3-SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARM INC (US) 2004-11-03 EP disclosed
EP-1413575-A2 Process for preparing derivatives of [(1,5-diaryl)pyrazol-3-yl]propanoic acid Ortho-McNeil Pharmaceutical, Inc. (US) 2004-04-28 EP disclosed
US-6384233-B1 PHENYL KETONE DERIVATIVE REACTED WITH SUCCINIC ANHYDRIDE ANDPOTASSIUM T-BUTOXIDE, DIKETONE PRODUCT REACTED WITH HYDRAZINE DERIVATIVE TO CAUSE CYCLIZATION, ESTERIFICATION WITH ETHANOL AND REACTING WITH N-METHYLHYDROXYLAMINE HYDROCHLORIDE ABDEL-MAGID AHMED F (US) 2002-05-07 US disclosed
US-20020032336-A1 Process for preparing 1,5-diaryl-3-substituted pyrazoles ABDEL-MAGID AHMED F (US) 2002-03-14 US disclosed
EP-1144382-A2 PROCESS FOR PREPARING 1,5-DIARYL-3-SUBSTITUTED PYRAZOLES Ortho-McNeil Pharmaceutical, Inc. (US) 2001-10-17 EP disclosed
WO-2001009102-A2 PROCESS FOR PREPARING 1,5-DIARYL-3-SUBSTITUTED PYRAZOLES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-02-08 WO disclosed
EP-0248594-B1 Pharmacologically active 1,5-diaryl-3-substituted-pyrazoles and method for synthesizing the same ORTHO PHARMA CORP (US) 1993-11-24 EP disclosed
US-5164381-A Cardiovascular, antiinflammatory ORTHO PHARMACEUTICAL CORPORATION (US) 1992-11-17 US disclosed
US-4826868-A 1,5-Diaryl-3-substituted pyrazoles pharmaceutical compositions and use ORTHO PHARMACEUTICAL CORPORATION (US) 1989-05-02 US disclosed
EP-0248594-A2 Pharmacologically active 1,5-diaryl-3-substituted-pyrazoles and method for synthesizing the same ORTHO PHARMACEUTICAL CORPORATION (US) 1987-12-09 EP 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 (3 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-20060004208-A1 Process for preparing 1,5-diaryl-3-substituted pyrazoles ADH5, ADH1C, ADH1A PTGS2 1186/4885ALOX5 533/4885CCKAR 2993/4885
US-20040230060-A1 Process for preparing 1,5-diaryl-3-substituted pyrazoles ADH5, ADH1C, ADH1A PTGS2 1114/4885ALOX5 670/4885CCKAR 3391/4885
US-20020032336-A1 Process for preparing 1,5-diaryl-3-substituted pyrazoles ADH5, ADH1C, ADH1A PTGS2 1114/4885ALOX5 670/4885CCKAR 3391/4885

“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.