Sugi Predict

Sugi Predict / Compounds / SCHEMBL510223

SCHEMBL510223

SCHEMBL510223

O=[N+]([O-])C=Cc1cccc(OCc2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 11/20 1.00
▸ MAOB P27338 11/20 1.00
▸ TLR4 O00206 9/20 1.00
▸ TLR2 O60603 9/20 1.00
▸ CCNB2 O95067 1/20 0.64
▸ CDK1 P06493 1/20 0.64
▸ CDK4 P11802 1/20 0.64
▸ CCNB1 P14635 1/20 0.64
▸ CCND1 P24385 1/20 0.64
▸ CCNB3 Q8WWL7 1/20 0.64
▸ LCK P06239 1/20 0.63
▸ KDM4E B2RXH2 1/20 0.63
▸ ALDH1A1 P00352 1/20 0.63
▸ PKM P14618 1/20 0.63

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
SCHEMBL510222 1.00 MAOA (1.00) MAOAMAOBTLR4TLR2CCNB2
SCHEMBL5720900 0.90 TLR4 (0.81) MAOAMAOBTLR4TLR2LCK
SCHEMBL5720904 0.90 TLR4 (0.81) MAOAMAOBTLR4TLR2LCK
SCHEMBL509861 0.84 MAOA (0.72) MAOAMAOBTLR4TLR2LCK
SCHEMBL509860 0.84 MAOA (0.72) MAOAMAOBTLR4TLR2LCK
SCHEMBL236394 0.84 MAOA (0.72) MAOAMAOBTLR4TLR2LCK
SCHEMBL236393 0.84 MAOA (0.72) MAOAMAOBTLR4TLR2LCK
SCHEMBL3235707 0.83 MAOA (0.70) MAOAMAOBTLR4TLR2
SCHEMBL3235702 0.83 MAOA (0.70) MAOAMAOBTLR4TLR2
SCHEMBL3657658 0.82 TLR4 (0.69) MAOAMAOBTLR4TLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841327-B2 Heterocycles substituted pyridine derivatives and antifungal agent containing thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-09-23 — — US disclosed
EP-1944303-B1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROCYCLE AND FUNGICIDE CONTAINING THE SAME EISAI R&D MAN CO LTD (JP) 2013-08-21 — — EP disclosed
US-8507530-B2 Pyridine derivatives substituted by heterocyclic ring and phosphonoamino group, and anti-fungal agent containing same EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-13 — — US disclosed
CN-101300250-B Heterocyclic substituted pyridine derivative and antifungal agent containing the same EISAI R&D MAN CO LTD 2012-09-05 — — CN disclosed
US-8158657-B2 Heterocycles substituted pyridine derivatives and antifungal agent containing thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-17 — — US disclosed
US-8153662-B2 Heterocycles substituted pyridine derivatives and antifungal agent containing thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-10 — — US disclosed
US-20120029023-A1 HETEROCYCLES SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING THEREOF TANAKA KEIGO (JP) 2012-02-02 — — US disclosed
US-8030354-B2 2-(5,5-Dimethylcyclopent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; metabolic disorders such as type II diabetes AMGEN INC. (US) 2011-10-04 — — US disclosed
CN-1993323-B Indole, indazole or indoline derivatives HOFFMANN LA ROCHE 2011-04-20 — — CN disclosed
US-20100168173-A1 HETEROCYCLES SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING THEREOF TANAKA KEIGO 2010-07-01 — — US disclosed
US-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 — — US disclosed
WO-2006013048-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-02-09 — — WO disclosed
US-20040157859-A1 Pyrrolidones with anti-HIV activity IRM LLC, A DELAWARE LLC (BM) 2004-08-12 — — US disclosed
WO-2004037784-A2 PYRROLIDONES WITH ANTI-HIV ACTIVITY IRM LLC (BM) 2004-05-06 — — WO disclosed
WO-2001055117-A1 NOVEL ISOQUINOLINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2001-08-02 — — WO disclosed
US-4820734-A ANALGESICS,ANTIDEPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1989-04-11 — — US disclosed
EP-0138030-B1 PHENYLETHYLAMINE DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1987-09-30 — — EP disclosed
EP-0138030-A2 Phenylethylamine derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-04-24 — — EP disclosed
EP-0028959-B1 5,8,13,13A-TETRAHYDRO-6H-DIBENZO(A,G)QUINOLIZINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM U.R.P.H.A. (FR) 1985-01-30 — — EP disclosed
EP-0028959-A1 5,8,13,13a-Tetrahydro-6H-dibenzo(a,g)quinolizine derivatives, process for their preparation and pharmaceutical compositions containing them U.R.P.H.A. (FR) 1981-05-20 — — 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 (4 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-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors CETP, NAT1, MTTP MAOA 227/4885MAOB 147/4885TLR4 3193/4885
US-20040157859-A1 Pyrrolidones with anti-HIV activity PREP, DHPS, PDCD11 MAOA 3611/4885MAOB 3507/4885TLR4 3805/4885
US-20100168173-A1 HETEROCYCLES SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING THEREOF ERG28, CBR3, CBR1 MAOA 1006/4885MAOB 800/4885TLR4 2521/4885
US-20120029023-A1 HETEROCYCLES SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING THEREOF CYP4X1, ERG28, CYP51A1 MAOA 596/4885MAOB 568/4885TLR4 1939/4885

“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.