SCHEMBL4191812

SCHEMBL4191812

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.60
SMN1; SMN2 Q16637 10/20 0.60
NPC1 O15118 10/20 0.60
ALDH1A1 P00352 8/20 0.60
MAPT P10636 5/20 0.60
HTT P42858 5/20 0.60
NPSR1 Q6W5P4 5/20 0.60
XBP1 P17861 3/20 0.60
RXFP1 Q9HBX9 2/20 0.60
LMNA P02545 6/20 0.59
PAX8 Q06710 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.47
GAA P10253 1/20 0.44
MAPK14 Q16539 4/20 0.41
S1PR4 O95977 2/20 0.39
HPGD P15428 2/20 0.39
S1PR1 P21453 2/20 0.39
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL4184776 0.87 ALDH1A1 (0.56) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL4187625 0.82 SMN1; SMN2 (0.71) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL4188188 0.81 NPBWR1 (0.52) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL4740875 0.80 RAB9A (0.67) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL1749910 0.79 RAB9A (0.60) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL4675793 0.79 RAB9A (0.71) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL4196334 0.78 SMN1; SMN2 (0.60) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL4191587 0.78 NPC1 (0.69) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL1750846 0.77 ALDH1A1 (0.50) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL1751460 0.77 RAB9A (0.62) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT

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 RAB9A 4436/4885SMN1; SMN2 4601/4885NPC1 4331/4885
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 RAB9A 4413/4885SMN1; SMN2 4516/4885NPC1 4230/4885
US-20090042888-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGIS, PTGS1, PTGS2 RAB9A 4374/4885SMN1; SMN2 4576/4885NPC1 4280/4885
US-20030225276-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 RAB9A 4413/4885SMN1; SMN2 4516/4885NPC1 4230/4885
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 RAB9A 4413/4885SMN1; 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.