Sugi Predict

Sugi Predict / Compounds / SCHEMBL3076128

SCHEMBL3076128

SCHEMBL3076128

O=C(C=NO)Nc1ccccc1F

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.60
▸ RAB9A P51151 4/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ NPC1 O15118 3/20 0.58
▸ HPGD P15428 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ MMP1 P03956 4/20 0.57
▸ MMP2 P08253 4/20 0.57
▸ MMP9 P14780 4/20 0.57
▸ EGFR P00533 1/20 0.57
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ MAOB P27338 1/20 0.49
▸ HTT P42858 2/20 0.49
▸ LMNA P02545 1/20 0.47
▸ POLB P06746 2/20 0.47
▸ MAPK1 P28482 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
SCHEMBL3995573 1.00 ALDH1A1 (0.60) ALDH1A1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL3076127 1.00 ALDH1A1 (0.60) ALDH1A1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL3954474 0.86 MEN1 (0.51) ALDH1A1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL3954480 0.86 MEN1 (0.51) ALDH1A1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL12489800 0.86 MEN1 (0.51) ALDH1A1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL31355600 0.86 MEN1 (0.51) ALDH1A1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL29748324 0.86 MEN1 (0.51) ALDH1A1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL2657059 0.83 HPGD (0.49) ALDH1A1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL21752371 0.83 SMN1; SMN2 (0.52) ALDH1A1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL21752369 0.83 SMN1; SMN2 (0.52) ALDH1A1RAB9ASMN1; SMN2NPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060247442-A1 Process for preparing isatins with control of side-product formation WYETH (US) 2006-11-02 — — US claimed
US-20100221445-A1 O-DESMETHYLVENLAFAXINE AND BAZEDOXIFENE COMBINATION PRODUCT AND USES THEREOF WYETH LLC (US) 2010-09-02 — — US disclosed
CN-101646652-A Quinoline derivatives and pharmaceutical compositions comprising them for selectin inhibition WYETH CORP US 2010-02-10 — — CN disclosed
CN-101460223-A Quinolones as Inducible Nitric Oxide Synthase Inhibitors KALYPSYS INC (US) 2009-06-17 — — CN disclosed
WO-2007117778-A9 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS INC (US) 2009-05-22 — — WO disclosed
EP-1986747-A2 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS Kalypsys, Inc. (US) 2008-11-05 — — EP disclosed
US-20080255192-A1 2-(1-(4-chlorophenyl)cyclopropyl)-3-hydroxy-8-(trifluoromethoxy)quinoline-4-carboxylic acid; antiinflammtory agents; antagonists of the mammalian adhesion proteins WYETH (US) 2008-10-16 — — US disclosed
US-20080139558-A1 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2008-06-12 — — US disclosed
WO-2007117778-A2 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2007-10-18 — — WO disclosed
US-20060247442-A1 Process for preparing isatins with control of side-product formation WYETH (US) 2006-11-02 — — US disclosed
US-6949648-B2 Condensed pyrazole derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-27 — — US disclosed
US-20030187014-A1 Condensed pyrazole derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 — — US disclosed
EP-1270572-A1 CONDENSED PYRAZOLE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-01-02 — — EP disclosed
US-4736033-A Certain 1,3-dihydro-1-[heterocyclic)imino]-furo-[3,4-b]quinoline 9-ol compounds having analgesic and anti-inflammatory activity ROUSSEL UCLAF (FR) 1988-04-05 — — US disclosed
US-4596875-A Reacting benzoxazole compound with amide to decyclize, cyclizing to form quinoline derivative ROUSSEL UCLAF (FR) 1986-06-24 — — US disclosed
US-4486438-A 4-Hydroxy-3-quinoline-carboxylic acid derivatives ROUSSEL UCLAF (FR) 1984-12-04 — — US 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-20100221445-A1 O-DESMETHYLVENLAFAXINE AND BAZEDOXIFENE COMBINATION PRODUCT AND USES THEREOF CYP19A1, HSD17B11, SLC6A4 ALDH1A1 1509/4885RAB9A 1493/4885SMN1; SMN2 1541/4885
US-20080139558-A1 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS NOS2, NOS1, NQO2 ALDH1A1 1044/4885RAB9A 1758/4885SMN1; SMN2 4153/4885
US-20030187014-A1 Condensed pyrazole derivatives, process for producing the same and use thereof PTGS1, PTGIS, IL5 ALDH1A1 1061/4885RAB9A 3432/4885SMN1; SMN2 4864/4885
US-20080255192-A1 2-(1-(4-chlorophenyl)cyclopropyl)-3-hydroxy-8-(trifluoromethoxy)quinoline-4-carboxylic acid; antiinflammtory agents; antagonists of the mammalian adhesion proteins VCAM1, ICAM1, SELE ALDH1A1 346/4885RAB9A 3480/4885SMN1; SMN2 4234/4885
US-20060247442-A1 Process for preparing isatins with control of side-product formation NISCH, HASPIN, INMT ALDH1A1 1259/4885RAB9A 3142/4885SMN1; SMN2 2749/4885

“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.