Sugi Predict

Sugi Predict / Compounds / SCHEMBL1646765

SCHEMBL1646765

SCHEMBL1646765

O=[N+]([O-])c1ccc(-c2cc(O)no2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR1 P25024 1/20 0.49
▸ AR P10275 1/20 0.46
▸ APP P05067 1/20 0.44
▸ MAPT P10636 9/20 0.44
▸ RAB9A P51151 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ POLB P06746 2/20 0.42
▸ TNKS O95271 1/20 0.42
▸ PARP1 P09874 1/20 0.42
▸ CSNK2A2 P19784 1/20 0.42
▸ CSNK2B P67870 1/20 0.42
▸ CSNK2A1 P68400 1/20 0.42
▸ TNKS2 Q9H2K2 1/20 0.42
▸ PARP2 Q9UGN5 1/20 0.42
▸ CTDSP1 Q9GZU7 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
SCHEMBL1178035 0.81 ALDH1A1 (0.64) CXCR1MAPTRAB9ANPC1ALDH1A1
SCHEMBL436148 0.80 TNF (0.55) CXCR1APPMAPTRAB9AMEN1
SCHEMBL28689579 0.76 NPC1 (0.67) CXCR1MAPTRAB9ANPC1ALDH1A1
SCHEMBL17084384 0.76 NPC1 (0.67) CXCR1MAPTRAB9ANPC1ALDH1A1
SCHEMBL8375802 0.76 ALDH1A1 (0.61) MAPTRAB9ANPC1ALDH1A1MEN1
SCHEMBL25339145 0.75 CXCR1 (0.48) CXCR1APPMAPTRAB9ANPC1
SCHEMBL3459689 0.73 CXCR1 (0.49) CXCR1APPMAPTRAB9ANPC1
SCHEMBL38657732 0.73 PTPN1 (0.61) MAPTRAB9ANPC1ALDH1A1MEN1
SCHEMBL6938529 0.73 NOTUM (0.61) MAPTRAB9ANPC1ALDH1A1MEN1
SCHEMBL2959768 0.73 NPC1 (0.56) MAPTRAB9ANPC1ALDH1A1MEN1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104529925-A 5-(4-nitrophenyl)-3-hydroxylisoxazole and preparation process and use thereof WUHAN INST TECHNOLOGY 2015-04-22 — — CN disclosed
CN-104529925-A 5-(4-nitrophenyl)-3-hydroxylisoxazole and preparation process and use thereof WUHAN INST TECHNOLOGY 2015-04-22 — — CN disclosed
CN-104529925-A 5-(4-nitrophenyl)-3-hydroxylisoxazole and preparation process and use thereof WUHAN INST TECHNOLOGY 2015-04-22 — — CN disclosed
EP-2097413-B1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2013-12-25 — — EP disclosed
US-8604029-B2 2-[(2-substituted)-indolizin-3-yl]-2-oxo-acetamide derivatives as antifungal agents F2G LTD BRITISH BODY CORPORATE (GB) 2013-12-10 — — US disclosed
CN-101679410-B 2-[(2-substituted)-ind0lizin-3-yl]-2-oxo-acetamide derivatives as antifungal agents F2G LTD 2013-11-27 — — CN disclosed
US-8455500-B2 3-hydroxy-5-arylisoxazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-06-04 — — US disclosed
US-8455500-B2 3-hydroxy-5-arylisoxazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-06-04 — — US disclosed
US-8455500-B2 3-hydroxy-5-arylisoxazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-06-04 — — US disclosed
EP-2495238-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-09-05 — — EP disclosed
US-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY F2G LTD (GB) 2011-07-28 — — US disclosed
EP-2303329-A1 ANTIFUNGAL COMBINATION THERAPY F2G Limited (GB) 2011-04-06 — — EP disclosed
CN-101679410-A 2-[(2-substituted)-ind0lizin-3-yl]-2-oxo-acetamide derivatives as antifungal agents F2G LTD 2010-03-24 — — CN disclosed
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD. 2010-03-04 — — US disclosed
WO-2009144473-A1 ANTIFUNGAL COMBINATION THERAPY F2G LIMITED (GB) 2009-12-03 — — WO disclosed
EP-2097413-A1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G Limited (GB) 2009-09-09 — — EP disclosed
WO-2008062182-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2008-05-29 — — WO disclosed
US-6005116-A HAVE INHIBITION ACTIVITIES AGAINST TYPE A-MONOAMINE OXIDASE; TREATING OR PREVENTING DEPRESSION, PARKINSON'S DISEASE, ALZEHEIMER'S DEMENTIA, OR CEREBROVASCULAR DEMENTIA SANKYO COMPANY, LIMITED (JP) 1999-12-21 — — US disclosed
CN-1216986-A Isoxazole derivatives SANKYO CO (JP) 1999-05-19 — — CN disclosed
EP-0885891-A1 ISOXAZOLE DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-23 — — EP 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 (2 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-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY IDO1, FOXM1, IPO5 CXCR1 378/4885AR 882/4885APP 3085/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 CXCR1 3133/4885AR 653/4885APP 2807/4885

“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.