SCHEMBL4176052

SCHEMBL4176052

CSc1ccc(-c2cnn(Cc3ccccc3)c(=O)c2Cl)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.50
NPSR1 Q6W5P4 6/20 0.50
ALDH1A1 P00352 6/20 0.50
LMNA P02545 4/20 0.50
HPGD P15428 3/20 0.50
PPARG P37231 3/20 0.50
NCOA2 Q15596 3/20 0.50
NCOA1 Q15788 3/20 0.50
PKM P14618 2/20 0.50
MAPT P10636 2/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 2/20 0.48
GAA P10253 1/20 0.48
PTGS2 P35354 9/20 0.44
PTGS1 P23219 6/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 2/20 0.43

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
SCHEMBL4193039 0.87 PTGS2 (0.48) HTTNPSR1ALDH1A1LMNAHPGD
SCHEMBL4185514 0.86 PTGS2 (0.54) HTTNPSR1ALDH1A1LMNAHPGD
SCHEMBL4187448 0.83 PTGS2 (0.41) HTTNPSR1ALDH1A1LMNAHPGD
SCHEMBL4187497 0.83 ALDH1A1 (0.44) HTTNPSR1ALDH1A1LMNAHPGD
SCHEMBL4180467 0.82 PTGS2 (0.54) HTTNPSR1ALDH1A1LMNAHPGD
SCHEMBL7833947 0.80 PTGS2 (0.43) HTTNPSR1ALDH1A1LMNAHPGD
SCHEMBL4394435 0.77 PTGS2 (0.54) HTTNPSR1ALDH1A1LMNAHPGD
SCHEMBL8963991 0.74 HTT (0.59) HTTNPSR1ALDH1A1LMNAHPGD
SCHEMBL4182604 0.74 PTGS2 (0.77) HTTNPSR1ALDH1A1LMNAPTGS2
SCHEMBL27469594 0.73 PTGS2 (0.53) HTTNPSR1ALDH1A1LMNAHPGD

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 12 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
EP-1007515-A1 ARYLPYRIDAZINONES AS PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS Abbott Laboratories (US) 2000-06-14 EP disclosed
WO-2000024719-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2000-05-04 WO 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 HTT 4826/4885NPSR1 1603/4885ALDH1A1 277/4885
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 HTT 4802/4885NPSR1 1515/4885ALDH1A1 286/4885
US-20090042888-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGIS, PTGS1, PTGS2 HTT 4796/4885NPSR1 1395/4885ALDH1A1 276/4885
US-20030225276-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 HTT 4802/4885NPSR1 1515/4885ALDH1A1 286/4885
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 HTT 4802/4885NPSR1 1515/4885ALDH1A1 286/4885

“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.