SCHEMBL4178254

SCHEMBL4178254

COc1cnn(Cc2ccccc2)c(=O)c1Br

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
HTT P42858 4/20 0.61
HSD17B10 Q99714 1/20 0.61
NPBWR1 P48145 4/20 0.55
NR2E3 Q9Y5X4 1/20 0.52
PFKFB3 Q16875 1/20 0.49
MAPK14 Q16539 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
RAB9A P51151 2/20 0.48
LMNA P02545 3/20 0.47
HPGD P15428 2/20 0.47
PPARG P37231 2/20 0.47
NCOA2 Q15596 2/20 0.47
NCOA1 Q15788 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
MCL1 Q07820 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL21521858 0.87 NPBWR1 (0.61) ALDH1A1HTTHSD17B10NPBWR1SMN1; SMN2
SCHEMBL7813849 0.87 ALDH1A1 (0.49) ALDH1A1HTTHSD17B10NPBWR1NR2E3
SCHEMBL6232624 0.84 MAPK14 (0.67) ALDH1A1HTTHSD17B10NPBWR1NR2E3
SCHEMBL6378489 0.84 NPBWR1 (0.54) ALDH1A1HTTHSD17B10NPBWR1NR2E3
SCHEMBL4178364 0.84 ALDH1A1 (0.62) ALDH1A1HTTHSD17B10NPBWR1NR2E3
SCHEMBL18979972 0.84 POLB (0.59) ALDH1A1NPBWR1SMN1; SMN2RAB9ANPSR1
SCHEMBL6291906 0.82 MAPK14 (0.65) ALDH1A1HTTHSD17B10NPBWR1NR2E3
SCHEMBL4184723 0.81 ALDH1A1 (0.62) ALDH1A1HTTHSD17B10NPBWR1NR2E3
SCHEMBL4047300 0.80 ALDH1A1 (0.54) ALDH1A1HTTHSD17B10NPBWR1NR2E3
SCHEMBL6265589 0.78 MAPK14 (0.62) ALDH1A1HTTNR2E3MAPK14SMN1; SMN2

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 13 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
EP-1124804-B1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LAB (US) 2005-08-24 EP 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 ALDH1A1 277/4885HTT 4826/4885HSD17B10 258/4885
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 ALDH1A1 286/4885HTT 4802/4885HSD17B10 239/4885
US-20090042888-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGIS, PTGS1, PTGS2 ALDH1A1 276/4885HTT 4796/4885HSD17B10 234/4885
US-20030225276-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 ALDH1A1 286/4885HTT 4802/4885HSD17B10 239/4885
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 ALDH1A1 286/4885HTT 4802/4885HSD17B10 239/4885

“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.