Sugi Predict

Sugi Predict / Compounds / SCHEMBL668615

SCHEMBL668615

SCHEMBL668615

O=c1cc[nH]c2ccc(F)cc12

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 2/20 0.53
▸ KEAP1 Q14145 1/20 0.53
▸ NFE2L2 Q16236 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.48
▸ KDM4E B2RXH2 4/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ GPR84 Q9NQS5 1/20 0.47
▸ FEN1 P39748 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ MPO P05164 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CCR8 P51685 1/20 0.43
▸ TRPA1 O75762 1/20 0.42

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
SCHEMBL19211220 0.85 TNKS2 (0.44) AHRKEAP1NFE2L2ALDH1A1KDM4E
SCHEMBL2176724 0.84 ALDH1A1 (0.63) AHRALDH1A1KDM4ELMNAHPGD
SCHEMBL19211223 0.81 ALDH1A1 (0.52) AHRALDH1A1KDM4ELMNAHPGD
SCHEMBL12338439 0.78 ALDH1A1 (0.65) AHRALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10587891 0.78 ALDH1A1 (0.55) AHRALDH1A1KDM4EHSD17B10GPR84
SCHEMBL1885355 0.78 ALDH1A1 (0.71) AHRALDH1A1LMNAHPGDHSD17B10
SCHEMBL12338438 0.76 ALDH1A1 (0.63) AHRALDH1A1KDM4EHPGDHSD17B10
SCHEMBL14242737 0.76 NPSR1 (0.53) ALDH1A1LMNAHPGDHSD17B10GLA
SCHEMBL1430366 0.76 ALDH1A1 (0.48) AHRALDH1A1HSD17B10CCR8
SCHEMBL3989503 0.76 AHR (0.53) AHRALDH1A1LMNAHPGDHSD17B10

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-2293778-B1 COMPOSITION COMPRISING AN ANTIBIOTIC AND MOMETASONE INTERVET INT BV (NL) 2013-09-18 — — EP claimed
US-20120046259-A1 COMPOSITION COMPRISING AN ANTIBIOTIC AND A CORTICOSTEROID INTERVET INC. 2012-02-23 — — US claimed
EP-2293778-A2 COMPOSITION COMPRISING AN ANTIBIOTIC AND A CORTICOSTEROID Intervet International B.V. (NL) 2011-03-16 — — EP claimed
US-20100087409-A1 COMPOSITION COMPRISING AN ANTIBIOTIC AND A CORTICOSTEROID INTERVET INTERNATIONAL BV 2010-04-08 — — US claimed
WO-2009147144-A2 COMPOSITION COMPRISING AN ANTIBIOTIC AND A CORTICOSTEROID INTERVET INTERNATIONAL B.V. (NL) 2009-12-10 — — WO claimed
US-12503439-B2 Heteroaryl compounds for the treatment of pain VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-12-23 — — US disclosed
US-20230373925-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-23 — — US disclosed
EP-2293778-B1 COMPOSITION COMPRISING AN ANTIBIOTIC AND MOMETASONE INTERVET INT BV (NL) 2013-09-18 — — EP disclosed
US-20120046259-A1 COMPOSITION COMPRISING AN ANTIBIOTIC AND A CORTICOSTEROID INTERVET INC. 2012-02-23 — — US disclosed
EP-2293778-A2 COMPOSITION COMPRISING AN ANTIBIOTIC AND A CORTICOSTEROID Intervet International B.V. (NL) 2011-03-16 — — EP disclosed
US-20100248390-A1 COMPOSITIONS AND METHODS FOR IDENTIFYING LIGANDS OF ODORANT RECEPTORS DUKE UNIVERSITY (US) 2010-09-30 — — US disclosed
US-20100087409-A1 COMPOSITION COMPRISING AN ANTIBIOTIC AND A CORTICOSTEROID INTERVET INTERNATIONAL BV 2010-04-08 — — US disclosed
WO-2009147144-A2 COMPOSITION COMPRISING AN ANTIBIOTIC AND A CORTICOSTEROID INTERVET INTERNATIONAL B.V. (NL) 2009-12-10 — — WO disclosed
EP-1539133-B1 AMINOCYCLOHEXENE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY GLAXO GROUP LTD (GB) 2006-08-23 — — EP disclosed
US-20060040925-A1 Aminocyclohexene quinolines and their azaisosteric analogues with antibacterial activity GLAXO GROUP LIMITED (GB) 2006-02-23 — — US disclosed
WO-2004014361-A9 AMINOCYCLOHEXENE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY GLAXO GROUP LTD (GB) 2004-04-08 — — WO disclosed
EP-0561850-A1 7-SUBSTITUTED-6-FLUORO-1,4-DIHYDRO-4-OXO-QUINOLINE-3-CARBOXYLIC ACID COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS SYNPHAR LABORATORIES INC. (CA) 1993-09-29 — — EP disclosed
WO-1992010492-A1 7-SUBSTITUTED-6-FLUORO-1,4-DIHYDRO-4-OXO-QUINOLINE-3-CARBOXYLIC ACID COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS SYNPHAR LABORATORIES, INC. (CA) 1992-06-25 — — 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-20230373925-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN TRPV1, SCN3A, KCNN3 AHR 2604/4885KEAP1 2320/4885NFE2L2 2630/4885
US-20100087409-A1 COMPOSITION COMPRISING AN ANTIBIOTIC AND A CORTICOSTEROID CYP21A2, CYP27A1, NR3C2 AHR 482/4885KEAP1 1744/4885NFE2L2 2784/4885
US-12503439-B2 Heteroaryl compounds for the treatment of pain TRPV1, SCN3A, KCNN3 AHR 2604/4885KEAP1 2320/4885NFE2L2 2630/4885
US-20120046259-A1 COMPOSITION COMPRISING AN ANTIBIOTIC AND A CORTICOSTEROID CYP21A2, CYP27A1, NR3C2 AHR 482/4885KEAP1 1744/4885NFE2L2 2784/4885
US-20060040925-A1 Aminocyclohexene quinolines and their azaisosteric analogues with antibacterial activity QARS1, NQO2, AAAS AHR 1306/4885KEAP1 1311/4885NFE2L2 790/4885

“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.