SCHEMBL4184522

SCHEMBL4184522

CSc1ccc(-c2cnn(-c3cccc(Cl)c3)c(=O)c2Cc2cccc(F)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
ALDH1A2 O94788 2/20 0.41
ALDH1A3 P47895 2/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
ATM Q13315 1/20 0.40
POLB P06746 2/20 0.39
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.39
GPR52 Q9Y2T5 1/20 0.38
TRPV1 Q8NER1 2/20 0.37
AHR P35869 1/20 0.37
NPBWR1 P48145 2/20 0.37
MCHR1 Q99705 1/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 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
SCHEMBL4187706 0.92 ALDH1A2 (0.36) ALDH1A1ALDH1A2ALDH1A3NPC1RAB9A
SCHEMBL4188772 0.91 GPR52 (0.36) ALDH1A1ALDH1A2ALDH1A3SMN1; SMN2GPR52
SCHEMBL4190037 0.89 SMN1; SMN2 (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2GPR52
SCHEMBL4192860 0.86 PTGS2 (0.48) ALDH1A1ALDH1A2ALDH1A3NPC1RAB9A
SCHEMBL27471999 0.86 RAB9A (0.41) ALDH1A1ALDH1A2ALDH1A3NPC1RAB9A
SCHEMBL4184876 0.83 IDO1 (0.37) ALDH1A1NPC1RAB9AATMPOLB
SCHEMBL4191531 0.78 RAB9A (0.49) ALDH1A1NPC1RAB9AATMTHRB
SCHEMBL4190431 0.78 PTGS2 (0.45)
SCHEMBL27487888 0.78 ALDH1A2 (0.35) ALDH1A1ALDH1A2ALDH1A3NPC1RAB9A
SCHEMBL27472008 0.78 RAB9A (0.42) ALDH1A1NPC1RAB9AATMPOLB

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-1124804-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-08-22 EP disclosed
WO-2000024719-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2000-05-04 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 ALDH1A1 277/4885ALDH1A2 594/4885ALDH1A3 2112/4885
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 ALDH1A1 286/4885ALDH1A2 614/4885ALDH1A3 2178/4885
US-20090042888-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGIS, PTGS1, PTGS2 ALDH1A1 276/4885ALDH1A2 526/4885ALDH1A3 1868/4885
US-20030225276-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 ALDH1A1 286/4885ALDH1A2 614/4885ALDH1A3 2178/4885
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 ALDH1A1 286/4885ALDH1A2 614/4885ALDH1A3 2178/4885

“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.