SCHEMBL4184776

SCHEMBL4184776

O=c1c(Br)c(Br)cnn1-c1ccc(F)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
MAPT P10636 4/20 0.56
NPSR1 Q6W5P4 4/20 0.56
HTT P42858 3/20 0.56
RXFP1 Q9HBX9 2/20 0.56
XBP1 P17861 2/20 0.56
LMNA P02545 3/20 0.55
PAX8 Q06710 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.44
ESR1 P03372 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
IDO1 P14902 3/20 0.42
TDO2 P48775 3/20 0.42
GAA P10253 1/20 0.42
MAPK14 Q16539 3/20 0.41
KAT2B Q92831 2/20 0.41

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
SCHEMBL4191812 0.87 RAB9A (0.60) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL4196334 0.87 SMN1; SMN2 (0.60) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL4176781 0.83 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2NPSR1LMNAL3MBTL1
SCHEMBL4675793 0.82 RAB9A (0.71) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL4191587 0.81 NPC1 (0.69) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL1751460 0.80 RAB9A (0.62) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL4187625 0.79 SMN1; SMN2 (0.71) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL4740875 0.77 RAB9A (0.67) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL1749910 0.75 RAB9A (0.60) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL1750846 0.74 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT

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 ALDH1A1 277/4885SMN1; SMN2 4601/4885NPC1 4331/4885
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 ALDH1A1 286/4885SMN1; SMN2 4516/4885NPC1 4230/4885
US-20090042888-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGIS, PTGS1, PTGS2 ALDH1A1 276/4885SMN1; SMN2 4576/4885NPC1 4280/4885
US-20030225276-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 ALDH1A1 286/4885SMN1; SMN2 4516/4885NPC1 4230/4885
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 ALDH1A1 286/4885SMN1; SMN2 4516/4885NPC1 4230/4885

“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.