SCHEMBL2980674

SCHEMBL2980674

CC(=O)N1CCc2[nH]nc(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.61
CREBBP Q92793 10/20 0.47
BRD4 O60885 2/20 0.47
MET P08581 3/20 0.46
BAZ2B Q9UIF8 1/20 0.45
EP300 Q09472 9/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL4713062 0.84 MAPK1 (0.67) MAPK1CREBBPBRD4METBAZ2B
SCHEMBL10817751 0.83 MAPK1 (0.71) MAPK1CREBBPBRD4METBAZ2B
SCHEMBL2982055 0.81 MAPK1 (0.78) MAPK1CREBBPBRD4METBAZ2B
SCHEMBL7093107 0.79 MAPK1 (0.65) MAPK1CREBBPBRD4METBAZ2B
SCHEMBL10817743 0.77 MAPK1 (0.80) MAPK1CREBBPBRD4BAZ2BEP300
SCHEMBL10805635 0.76 MAPK1 (1.00) MAPK1CREBBPBRD4BAZ2BEP300
SCHEMBL2979198 0.76 MAPK1 (0.78) MAPK1CREBBPBRD4BAZ2BEP300
SCHEMBL2977735 0.76 MAPK1 (0.78) MAPK1CREBBPBRD4METEP300
SCHEMBL10818694 0.76 MAPK1 (0.77) MAPK1CREBBPBRD4BAZ2BEP300
SCHEMBL14791448 0.76 MAPK1 (0.66) MAPK1CREBBPBRD4BAZ2BEP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772236-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2010-08-10 US disclosed
US-7589202-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2009-09-15 US disclosed
US-20080300255-A1 Substituted pyrazoles BEAVERS MARY PAT 2008-12-04 US disclosed
US-20080293732-A1 Substituted pyrazoles BEAVERS MARY PAT 2008-11-27 US disclosed
US-7452890-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2008-11-18 US disclosed
US-7429591-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2008-09-30 US disclosed
US-7417046-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2008-08-26 US disclosed
US-7393850-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2008-07-01 US disclosed
US-7388011-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2008-06-17 US disclosed
US-7332494-B2 Method for treating allergies using substituted pyrazoles JANSSEN PHARMACEUTICA, N.V. (BE) 2008-02-19 US disclosed
US-20070004738-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2007-01-04 US disclosed
US-20070004754-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2007-01-04 US disclosed
EP-1315491-B1 USE OF SUBSTITUTED PYRAZOLES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF ALLERGIES ORTHO MCNEIL PHARM INC (US) 2006-08-09 EP disclosed
EP-1315491-A2 METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-06-04 EP disclosed
EP-1309591-A2 SUBSTITUTED PYRAZOLES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-05-14 EP disclosed
US-20030073672-A1 Method for treating allergies using substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-04-17 US disclosed
US-20030069240-A1 Method for treating allergies using substituted pyrazoles JANSSEN PHARMACEUTICA N.V. (BE) 2003-04-10 US disclosed
US-20020040020-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-04-04 US disclosed
WO-2002020012-A2 METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-03-14 WO disclosed
WO-2002014314-A2 SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-21 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 (7 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-20080293732-A1 Substituted pyrazoles CTSS, CTSZ, CTSB MAPK1 4519/4885CREBBP 2922/4885BRD4 605/4885
US-20080300255-A1 Substituted pyrazoles CTSS, CTSZ, CTSB MAPK1 4519/4885CREBBP 2922/4885BRD4 605/4885
US-20070004738-A1 Substituted pyrazoles CTSS, CTSZ, CTSB MAPK1 4519/4885CREBBP 2922/4885BRD4 605/4885
US-20030069240-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 MAPK1 4370/4885CREBBP 1005/4885BRD4 140/4885
US-20030073672-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 MAPK1 4370/4885CREBBP 1005/4885BRD4 140/4885
US-20070004754-A1 Substituted pyrazoles CTSS, CTSZ, CTSB MAPK1 4519/4885CREBBP 2922/4885BRD4 605/4885
US-20020040020-A1 Substituted pyrazoles CTSS, CTSZ, CTSV MAPK1 4426/4885CREBBP 3211/4885BRD4 866/4885

“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.