Sugi Predict

Sugi Predict / Compounds / SCHEMBL358890

SCHEMBL358890

SCHEMBL358890

Cc1cc(Cl)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ RECQL P46063 1/20 0.47
▸ VCAM1 P19320 6/20 0.44
▸ MAPT P10636 1/20 0.44
▸ PPIA P62937 1/20 0.44
▸ GPR35 Q9HC97 1/20 0.44
▸ PGK1 P00558 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.43

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
Benzene SCHEMBL27763648 0.96 TSHR (0.47) TSHRMAPK1ALDH1A1CYP3A4RECQL
SCHEMBL16013560 0.91 TSHR (0.50) TSHRMAPK1ALDH1A1CYP3A4RECQL
SCHEMBL29804082 0.89 TSHR (0.48) TSHRMAPK1ALDH1A1CYP3A4RECQL
SCHEMBL3175084 0.89 TSHR (0.48) TSHRMAPK1ALDH1A1CYP3A4RECQL
SCHEMBL31592017 0.89 TSHR (0.52) TSHRMAPK1ALDH1A1CYP3A4RECQL
SCHEMBL3633645 0.89 TSHR (0.52) TSHRMAPK1ALDH1A1CYP3A4RECQL
Bromide SCHEMBL4989837 0.87 TSHR (0.47) TSHRMAPK1ALDH1A1CYP3A4RECQL
SCHEMBL29586844 0.87 PPIA (0.47) TSHRMAPK1ALDH1A1CYP3A4RECQL
SCHEMBL1626324 0.87 TSHR (0.50) TSHRMAPK1ALDH1A1CYP3A4RECQL
SCHEMBL80032 0.87 PPIA (0.47) TSHRMAPK1ALDH1A1CYP3A4RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE50453-E1 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-10 — — US disclosed
EP-4524129-A1 METHOD FOR PREPARING 2-SUBSTITUTED ARYL ACETONITRILE COMPOUND AND USE THEREOF Maxunitech Inc. (CN) 2025-03-19 — — EP disclosed
US-20250059132-A1 METHOD FOR PREPARING 2-SUBSTITUTED ARYLACETONITRILE COMPOUND AND APPLICATION THEREOF MAXUNITECH INC (CN) 2025-02-20 — — US disclosed
CN-117940437-A DNA-PK selective inhibitor and preparation method and application thereof 首药控股(北京)股份有限公司 2024-04-26 — — CN disclosed
US-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2024-03-21 — — US disclosed
CN-117069614-A Preparation method and application of 2-substituted aryl acetonitrile compound 合力科技股份有限公司 2023-11-17 — — CN disclosed
WO-2023216063-A1 METHOD FOR PREPARING 2-SUBSTITUTED ARYL ACETONITRILE COMPOUND AND USE THEREOF 合力科技股份有限公司 2023-11-16 — — WO disclosed
US-11639347-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-05-02 — — US disclosed
US-11639347-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-05-02 — — US disclosed
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-27 — — US disclosed
US-5382702-A Process for the production of 5-alkoxy-2,4-dinitro-alkylbenzenes WELLA AKTIENGESELLSCHAFT (DE) 1995-01-17 — — US disclosed
EP-0601138-A1 METHOD OF PREPARING 5-ALKOXY-2,4-DINITROALKYLBENZENE COMPOUNDS. WELLA AG (DE) 1994-06-15 — — EP disclosed
WO-1993025512-A1 METHOD OF PREPARING 5-ALKOXY-2,4-DINITROALKYLBENZENE COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 1993-12-23 — — WO disclosed
EP-0268849-B1 Poly(aminoaromatic) compounds DOW CHEMICAL CO (US) 1993-10-20 — — EP disclosed
US-5079275-A Polyamino compound is an amino endcapped polyether, polyester, polycarbonate, resole, hydroxybutadiene THE DOW CHEMICAL COMPANY (US) 1992-01-07 — — US disclosed
EP-0252351-B1 5-ALKOXY-2,4-DIAMINO-ALKYLBENZENES AND HAIR DYES CONTAINING SAME Wella Aktiengesellschaft (DE) 1990-09-12 — — EP disclosed
US-4854935-A OXIDATION COLOR DYE COUPLERS WELLA AKTIENGESELLSCHAFT (DE) 1989-08-08 — — US disclosed
US-4847416-A Capping of polyols with aromatic amines THE DOW CHEMICAL COMPANY (US) 1989-07-11 — — US disclosed
EP-0268849-A2 Poly(aminoaromatic) compounds THE DOW CHEMICAL COMPANY (US) 1988-06-01 — — EP disclosed
EP-0252351-A1 5-Alkoxy-2,4-diamino-alkylbenzenes and hair dyes containing same Wella Aktiengesellschaft (DE) 1988-01-13 — — 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-20250059132-A1 METHOD FOR PREPARING 2-SUBSTITUTED ARYLACETONITRILE COMPOUND AND APPLICATION THEREOF CYP1B1, CYP1A2, CYP2C9 TSHR 2644/4885MAPK1 1760/4885ALDH1A1 209/4885
US-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 TSHR 2748/4885MAPK1 4563/4885ALDH1A1 1961/4885
US-11639347-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 TSHR 2748/4885MAPK1 4563/4885ALDH1A1 1961/4885
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 TSHR 2748/4885MAPK1 4563/4885ALDH1A1 1961/4885

“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.