Sugi Predict

Sugi Predict / Compounds / SCHEMBL4167284

SCHEMBL4167284

SCHEMBL4167284

O=[N+]([O-])c1cc(Br)cc(O)c1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 1/20 0.62
▸ TTR P02766 3/20 0.62
▸ GPR35 Q9HC97 2/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ ALDH1A1 P00352 2/20 0.62
▸ MAPT P10636 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ KDM4E B2RXH2 1/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ HPGD P15428 1/20 0.62
▸ ALOX15 P16050 1/20 0.62
▸ ALOX12 P18054 1/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ RECQL P46063 1/20 0.62
▸ PMP22 Q01453 1/20 0.62
▸ HIF1A Q16665 1/20 0.62
▸ HSD17B10 Q99714 1/20 0.62
▸ TDP1 Q9NUW8 1/20 0.62
▸ XDH P47989 1/20 0.56

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
Methoxymethane SCHEMBL27733049 0.93 ERN1 (0.56) ERN1TTRGPR35MEN1ALDH1A1
SCHEMBL4144580 0.89 ERN1 (0.69) ERN1TTRGPR35MEN1ALDH1A1
SCHEMBL29674743 0.84 ERN1 (0.59) ERN1TTRGPR35MEN1ALDH1A1
SCHEMBL752254 0.84 ERN1 (0.59) ERN1TTRGPR35MEN1ALDH1A1
SCHEMBL18614404 0.83 ERN1 (0.53) ERN1TTRGPR35MEN1ALDH1A1
SCHEMBL7737429 0.83 ERN1 (0.62) ERN1TTRGPR35MEN1ALDH1A1
SCHEMBL4264263 0.82 ERN1 (0.51) ERN1TTRGPR35MEN1ALDH1A1
SCHEMBL1736226 0.80 GPR35 (0.65) ERN1TTRGPR35MEN1ALDH1A1
SCHEMBL2919736 0.80 CYP1A2 (0.52) ERN1TTRGPR35MEN1ALDH1A1
Bromide SCHEMBL18614480 0.80 ERN1 (0.50) ERN1TTRGPR35MEN1ALDH1A1

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
US-11135209-B2 Compositions and methods for inhibiting protein kinases UNIVERSITY OF HOUSTON SYSTEM (US) 2021-10-05 — — US disclosed
EP-3600307-B1 COMPOSITIONS FOR USE IN METHODS OF INHIBITING PROTEIN KINASES UNIV HOUSTON SYSTEM (US) 2021-05-05 — — EP disclosed
EP-3600307-A1 COMPOSITIONS FOR USE IN METHODS OF INHIBITING PROTEIN KINASES University of Houston System (US) 2020-02-05 — — EP disclosed
US-20200030303-A1 COMPOSITIONS AND METHODS FOR INHIBITING PROTEIN KINASES UNIVERSITY OF HOUSTON SYSTEM (US) 2020-01-30 — — US disclosed
WO-2018183633-A1 COMPOSITIONS FOR USE IN METHODS OF INHIBITING PROTEIN KINASES UNIVERSITY OF HOUSTON SYSTEM (US) 2018-10-04 — — WO disclosed
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2016-08-11 — — US disclosed
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2016-08-11 — — US disclosed
WO-2015042397-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2015-03-26 — — WO disclosed
US-8633245-B2 PAI-1 inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2014-01-21 — — US disclosed
US-8633245-B2 PAI-1 inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2014-01-21 — — US disclosed
EP-2272817-A1 PAI-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2011-01-12 — — EP disclosed
US-20090312315-A1 PAI-1 INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-17 — — US disclosed
US-20090312315-A1 PAI-1 INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-17 — — US disclosed
WO-2009125606-A1 PAI-1 INHIBITOR 株式会社医薬分子設計研究所 (JP) 2009-10-15 — — WO disclosed
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED 2009-03-19 — — US disclosed
US-20060264429-A1 Benzoxazinone derivatives, preparation thereof and uses in the treatment of cns and other disorders GLAXO GROUP LIMITED (GB) 2006-11-23 — — US disclosed
EP-1562917-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2005-08-17 — — EP disclosed
WO-2004046124-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2004-06-03 — — 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 (6 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-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 ERN1 1159/4885TTR 2436/4885GPR35 1792/4885
US-11135209-B2 Compositions and methods for inhibiting protein kinases RIPK2, RIPK1, NOD2 ERN1 499/4885TTR 3957/4885GPR35 2287/4885
US-20090312315-A1 PAI-1 INHIBITOR SERPINC1, SERPINE1, SERPINH1 ERN1 539/4885TTR 972/4885GPR35 4233/4885
US-20060264429-A1 Benzoxazinone derivatives, preparation thereof and uses in the treatment of cns and other disorders XDH, CYP4X1, PDHX ERN1 4266/4885TTR 2156/4885GPR35 2234/4885
US-20200030303-A1 COMPOSITIONS AND METHODS FOR INHIBITING PROTEIN KINASES RIPK2, RIPK1, NOD2 ERN1 499/4885TTR 3957/4885GPR35 2287/4885
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS XDH, CYP4X1, PDHX ERN1 4018/4885TTR 1837/4885GPR35 2500/4885

“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.