SCHEMBL4182885

SCHEMBL4182885

CSc1ccc(-c2cnn(-c3cccc(Cl)c3)c(=O)c2OC(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 9/20 0.47
MCHR1 Q99705 6/20 0.47
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
ATM Q13315 1/20 0.44
PTGS2 P35354 1/20 0.42
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.39
PAX8 Q06710 1/20 0.37
TP53 P04637 1/20 0.37
GRM1 Q13255 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL7831138 0.93 PTGS2 (0.55) NPBWR1MCHR1RAB9ANPC1ATM
SCHEMBL4176536 0.88 NPBWR1 (0.55) NPBWR1MCHR1RAB9ANPC1ATM
SCHEMBL4187506 0.84 PTGS2 (0.61) NPBWR1MCHR1RAB9ANPC1ATM
SCHEMBL4182886 0.84 NPBWR1 (0.45) NPBWR1MCHR1RAB9ANPC1ATM
SCHEMBL4191531 0.82 RAB9A (0.49) NPBWR1MCHR1RAB9ANPC1ATM
SCHEMBL4199096 0.82 NPBWR1 (0.42) NPBWR1MCHR1RAB9ANPC1PTGS2
SCHEMBL4186108 0.78 PTGS2 (0.38) NPBWR1MCHR1PTGS2
SCHEMBL4186850 0.77 PTGS2 (0.52) NPBWR1MCHR1RAB9ANPC1ATM
SCHEMBL4193742 0.76 RAB9A (0.42) NPBWR1MCHR1RAB9ANPC1ATM
SCHEMBL4177678 0.75 ALDH1A1 (0.46) NPBWR1MCHR1KMT2ASMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042888-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A 2009-02-12 US disclosed
US-7115591-B2 Pyridazinone compounds as cyclooxygenase [COX] 2 inhibitorsfor gastrointestinal disorders ABBOTT LABORATORIES (US) 2006-10-03 US disclosed
US-7001895-B2 Prostaglandin endoperoxide H synthase biosynthesis inhibitors ABBOTT LABORATORIES (US) 2006-02-21 US disclosed
US-20040158064-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2004-08-12 US disclosed
US-20030225276-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2003-12-04 US disclosed
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2002-03-07 US disclosed
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2002-01-31 US disclosed
US-6307047-B1 PYRIDAZINONE COMPOUNDS; INHIBITORS OF CYCLOOXYGENASE-2 (COX-2); SELECTIVITY OF THESE COMPOUNDS FOR COX-2 MINIMIZES THE UNWANTED GI AND RENAL SIDE-EFFECTS SEEN WITH CURRENTLY MARKETED NON-STEROIDAL ANTI-INFLAMMATORY DRUGS ABBOTT LABORATORIES 2001-10-23 US disclosed
EP-1007515-A1 ARYLPYRIDAZINONES AS PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS Abbott Laboratories (US) 2000-06-14 EP disclosed
WO-1999010331-A1 ARYLPYRIDAZINONES AS PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 1999-03-04 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 (5 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-20040158064-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 NPBWR1 2057/4885MCHR1 4363/4885RAB9A 4436/4885
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 NPBWR1 1997/4885MCHR1 4356/4885RAB9A 4413/4885
US-20090042888-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGIS, PTGS1, PTGS2 NPBWR1 2064/4885MCHR1 4331/4885RAB9A 4374/4885
US-20030225276-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 NPBWR1 1997/4885MCHR1 4356/4885RAB9A 4413/4885
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 NPBWR1 1997/4885MCHR1 4356/4885RAB9A 4413/4885

“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.