Sugi Predict

Sugi Predict / Compounds / SCHEMBL4187625

SCHEMBL4187625

SCHEMBL4187625

O=c1c(Br)c(Br)cnn1-c1ccc(F)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 12/20 0.71
▸ RAB9A P51151 11/20 0.71
▸ NPC1 O15118 9/20 0.71
▸ ALDH1A1 P00352 7/20 0.71
▸ HTT P42858 6/20 0.71
▸ NPSR1 Q6W5P4 5/20 0.71
▸ MAPT P10636 4/20 0.71
▸ RXFP1 Q9HBX9 2/20 0.71
▸ XBP1 P17861 2/20 0.71
▸ LMNA P02545 6/20 0.70
▸ PAX8 Q06710 2/20 0.70
▸ L3MBTL1 Q9Y468 2/20 0.66
▸ HPGD P15428 2/20 0.48
▸ S1PR4 O95977 1/20 0.48
▸ S1PR1 P21453 1/20 0.48
▸ PPARG P37231 1/20 0.48
▸ OPRD1 P41143 1/20 0.48
▸ OPRK1 P41145 1/20 0.48
▸ NCOA2 Q15596 1/20 0.48
▸ GPR55 Q9Y2T6 1/20 0.48

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
SCHEMBL11582931 0.83 SMN1; SMN2 (0.71) SMN1; SMN2RAB9ANPC1ALDH1A1HTT
SCHEMBL2887406 0.83 RAB9A (0.71) SMN1; SMN2RAB9ANPC1ALDH1A1HTT
SCHEMBL4675793 0.83 RAB9A (0.71) SMN1; SMN2RAB9ANPC1ALDH1A1HTT
SCHEMBL1749910 0.83 RAB9A (0.60) SMN1; SMN2RAB9ANPC1ALDH1A1HTT
SCHEMBL4743412 0.82 RAB9A (1.00) SMN1; SMN2RAB9ANPC1ALDH1A1HTT
SCHEMBL7813760 0.82 RAB9A (0.52) SMN1; SMN2RAB9ANPC1ALDH1A1HTT
SCHEMBL7813761 0.82 RAB9A (0.52) SMN1; SMN2RAB9ANPC1ALDH1A1HTT
SCHEMBL4191812 0.82 RAB9A (0.60) SMN1; SMN2RAB9ANPC1ALDH1A1HTT
SCHEMBL4740875 0.81 RAB9A (0.67) SMN1; SMN2RAB9ANPC1ALDH1A1HTT
SCHEMBL4191081 0.80 ALDH1A1 (0.66) SMN1; SMN2RAB9ANPC1ALDH1A1HTT

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1478363-B1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LAB (US) 2009-01-14 — — EP claimed
WO-2016130652-A1 NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 3 VANDERBILT UNIVERSITY (US) 2016-08-18 — — WO disclosed
WO-2016130652-A1 NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 3 VANDERBILT UNIVERSITY (US) 2016-08-18 — — WO disclosed
US-20090042888-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A 2009-02-12 — — US disclosed
WO-2008101614-A1 METHOD FOR PRODUCING 4-(3-HYDROXY-3-METHYL-BUTOXY)-5-[4-(METHYLSULFONYL)PHENYL]-2-ARYLPYRIDAZIN-3(2H)-ONES BAYER ANIMAL HEALTH GMBH (DE) 2008-08-28 — — WO disclosed
WO-2008101615-A1 METHOD FOR PRODUCING 4,5-DIHALOGEN-2-ARYL-2H-PYRIDAZIN-3-ONES BAYER ANIMAL HEALTH GMBH (DE) 2008-08-28 — — WO 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 SMN1; SMN2 4601/4885RAB9A 4436/4885NPC1 4331/4885
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 SMN1; SMN2 4516/4885RAB9A 4413/4885NPC1 4230/4885
US-20090042888-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGIS, PTGS1, PTGS2 SMN1; SMN2 4576/4885RAB9A 4374/4885NPC1 4280/4885
US-20030225276-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 SMN1; SMN2 4516/4885RAB9A 4413/4885NPC1 4230/4885
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 SMN1; SMN2 4516/4885RAB9A 4413/4885NPC1 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.