Sugi Predict

Sugi Predict / Compounds / SCHEMBL554722

SCHEMBL554722

SCHEMBL554722

Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.61
▸ MAOB P27338 1/20 0.61
▸ MAPT P10636 3/20 0.59
▸ CYP1A2 P05177 2/20 0.59
▸ CYP2C9 P11712 2/20 0.59
▸ CYP2C19 P33261 2/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ CYP2D6 P10635 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ PNLIP P16233 4/20 0.56
▸ PDE7A Q13946 2/20 0.55
▸ CYP3A4 P08684 2/20 0.49
▸ NPC1 O15118 1/20 0.46
▸ HTR2A P28223 2/20 0.45
▸ SLC6A4 P31645 2/20 0.45
▸ FFAR1 O14842 1/20 0.45

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
SCHEMBL29553590 1.00 MAOA (0.61) MAOAMAOBMAPTCYP1A2CYP2C9
SCHEMBL4318630 0.92 PDE7A (0.63) MAOAMAOBMAPTCYP1A2CYP2C9
SCHEMBL554810 0.89 MAOA (0.61) MAOAMAOBMAPTCYP1A2CYP2C9
SCHEMBL5583563 0.85 TEAD4 (0.57) MAOAMAOBMAPTCYP1A2CYP2C9
SCHEMBL22069698 0.85 MAPT (0.57) MAOAMAOBMAPTCYP1A2CYP2C9
SCHEMBL1147436 0.85 PDE7A (0.53) MAOAMAOBMAPTCYP1A2CYP2C9
SCHEMBL10703684 0.85 PDE7A (0.53) MAOAMAOBMAPTCYP1A2CYP2C9
SCHEMBL1374919 0.85 CYP3A4 (0.58) MAOAMAOBMAPTCYP1A2CYP2C9
SCHEMBL30617019 0.85 CYP3A4 (0.58) MAOAMAOBMAPTCYP1A2CYP2C9
SCHEMBL11523227 0.85 MAPT (0.76) MAOAMAOBMAPTCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105461582-A A preparing method of rafoxanide ZHEJIANG ESIGMA BIOTECHNOLOGY CO LTD 2016-04-06 — — CN claimed
US-12161648-B2 Covalent targeting of E3 ligases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-12-10 — — US disclosed
US-11286359-B2 Prepreg and carbon fiber-reinforced composite material TORAY INDUSTRIES, INC. (JP) 2022-03-29 — — US disclosed
US-20210369731-A1 COVALENT TARGETING OF E3 LIGASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-12-02 — — US disclosed
US-11111345-B2 Prepreg and carbon fiber-reinforced composite material TORAY INDUSTRIES, INC. (JP) 2021-09-07 — — US disclosed
EP-3863642-A1 COVALENT TARGETING OF E3 LIGASES The Regents of the University of California (US) 2021-08-18 — — EP disclosed
EP-3800285-A1 SIZING-AGENT-COATED CARBON FIBRE BUNDLE, CARBON-FIBRE-BUNDLE PRODUCTION METHOD, AND PREPREG Toray Industries, Inc. (JP) 2021-04-07 — — EP disclosed
US-10898516-B2 Compositions and methods of treating diabetic retinopathy CASE WESTERN UNIVERSITY (US) 2021-01-26 — — US disclosed
EP-3666769-A1 NOVEL CASPASE INHIBITORS RIJKSUNIVERSITEIT GRONINGEN (NL) 2020-06-17 — — EP disclosed
EP-3666769-A1 NOVEL CASPASE INHIBITORS RIJKSUNIVERSITEIT GRONINGEN (NL) 2020-06-17 — — EP disclosed
WO-1991013873-A1 HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1991-09-19 — — WO disclosed
EP-0447164-A1 Heterocyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1991-09-18 — — EP disclosed
US-5034410-A Nitrile and oxo containing amides or thioamides SYNTEX (U.S.A.) INC. (US) 1991-07-23 — — US disclosed
US-4508734-A Substituted N-benzoyl-N-phenoxyphenylureas, the manufacture, and the use thereof for combating insects BASF AKTIENGESELLSCHAFT (DE) 1985-04-02 — — US disclosed
EP-0044410-B1 SUBSTITUTED N-BENZOYL-N'-PHENOXYPHENYL UREAS, PREPARATION THEREOF AND USE AS INSECTICIDES BASF Aktiengesellschaft (DE) 1983-12-21 — — EP disclosed
EP-0044410-A1 Substituted N-benzoyl-N'-phenoxyphenyl ureas, preparation thereof and use as insecticides BASF Aktiengesellschaft (DE) 1982-01-27 — — EP disclosed
US-4210646-A ANTIFUNGAL, ANTIBACTERIAL JANSSEN PHARMACEUTICA N.V. (BE) 1980-07-01 — — US disclosed
US-4068002-A INSECTICIDES BAYER AKTIENGESELLSCHAFT (DT) 1978-01-10 — — US disclosed
US-4036850-A FUNGICIDES, HERBICIDES, BACTERICIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 — — US disclosed
US-3956488-A ANTHELMINTICS MERCK & CO., INC. (US) 1976-05-11 — — 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 (3 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-12161648-B2 Covalent targeting of E3 ligases RNF114, RNF4, RNF168 MAOA 3431/4885MAOB 4196/4885MAPT 961/4885
US-20210369731-A1 COVALENT TARGETING OF E3 LIGASES RNF114, RNF4, RNF168 MAOA 3431/4885MAOB 4196/4885MAPT 961/4885
US-10898516-B2 Compositions and methods of treating diabetic retinopathy GPR119, ARRB1, GRK1 MAOA 1407/4885MAOB 1195/4885MAPT 2830/4885

“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.