Sugi Predict

Sugi Predict / Compounds / SCHEMBL397387

SCHEMBL397387

SCHEMBL397387

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ ESPL1 Q14674 1/20 0.49
▸ ALDH1A1 P00352 5/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TSHR P16473 5/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ RECQL P46063 1/20 0.47
▸ VCAM1 P19320 1/20 0.46
▸ MAPT P10636 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ GPR35 Q9HC97 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41

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 SCHEMBL27693496 0.96 TDP1 (0.47) ATMTDP1ESPL1ALDH1A1HIF1A
SCHEMBL12593915 0.89 TDP1 (0.52) ATMTDP1ESPL1ALDH1A1HIF1A
SCHEMBL440478 0.89 ALDH1A1 (0.53) ATMTDP1ESPL1ALDH1A1HIF1A
SCHEMBL29525219 0.89 ALDH1A1 (0.53) ATMTDP1ESPL1ALDH1A1HIF1A
SCHEMBL29805163 0.87 TDP1 (0.50) ATMTDP1ESPL1ALDH1A1HIF1A
SCHEMBL2471756 0.87 ALDH1A1 (0.47) ATMTDP1ALDH1A1HIF1ATSHR
SCHEMBL187542 0.87 TDP1 (0.50) ATMTDP1ESPL1ALDH1A1HIF1A
SCHEMBL45486 0.84 TDP1 (0.60) ATMTDP1ESPL1ALDH1A1HIF1A
SCHEMBL5311206 0.84 TSHR (0.56) TDP1ALDH1A1TSHRCYP3A4RECQL
SCHEMBL107162 0.83 TDP1 (0.50) ATMTDP1ESPL1ALDH1A1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115128-B2 Compounds of 3-(5-substituted Oxy-2, 4-dinitrophenyl)-2-oxo-propionic acid ester, synthesis and applications thereof ANTHEM BIOSCIENCES PVT. LTD. (IN) 2015-08-25 — — US claimed
EP-0601138-B1 METHOD OF PREPARING 5-ALKOXY-2,4-DINITROALKYLBENZENE COMPOUNDS WELLA AG (DE) 1996-09-18 — — EP claimed
US-5382702-A Process for the production of 5-alkoxy-2,4-dinitro-alkylbenzenes WELLA AKTIENGESELLSCHAFT (DE) 1995-01-17 — — US claimed
EP-0601138-A1 METHOD OF PREPARING 5-ALKOXY-2,4-DINITROALKYLBENZENE COMPOUNDS. WELLA AG (DE) 1994-06-15 — — EP claimed
WO-1993025512-A1 METHOD OF PREPARING 5-ALKOXY-2,4-DINITROALKYLBENZENE COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 1993-12-23 — — WO claimed
US-RE50453-E1 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-10 — — US disclosed
US-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2024-03-21 — — US 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-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-27 — — US disclosed
US-20230100634-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-03-30 — — US disclosed
WO-1993016677-A1 AGENT FOR THE OXIDATIVE COLOURING OF HAIR AND NOVEL 5-HALOGEN-2,4-BIS(ALKYLAMINO)-1-ALKYLBENZOLS WELLA AKTIENGESELLSCHAFT (DE) 1993-09-02 — — WO disclosed
US-5224965-A Couplers WELLA AKTIENGESELLSCHAFT (DE) 1993-07-06 — — US disclosed
EP-0502138-A1 OXIDATIVE HAIR-DYEING AGENT AND NEW 5-HALO-2,4-DIAMINOALKYLBENZENES. WELLA AG (DE) 1992-09-09 — — EP disclosed
WO-1992004005-A1 OXIDATIVE HAIR-DYEING AGENT AND NEW 5-HALO-2,4-DIAMINOALKYLBENZENES WELLA AKTIENGESELLSCHAFT (DE) 1992-03-19 — — WO disclosed
EP-0409025-A2 N-[Indol-6-yl]-heterocyclic compounds BAYER AG (DE) 1991-01-23 — — EP disclosed
US-4801717-A PLANT GROWTH REGULATORS ROUSSEL UCLAF (FR) 1989-01-31 — — US disclosed
EP-0119892-B1 HYDROXYL AMINE DERIVATIVES, THEIR PREPARATION, THEIR USE AS GROWTH FACTORS FOR VEGETABLES AND COMPOSITIONS THEREOF ROUSSEL-UCLAF (FR) 1986-08-13 — — EP disclosed
EP-0119892-A1 Hydroxyl amine derivatives, their preparation, their use as growth factors for vegetables and compositions thereof ROUSSEL-UCLAF (FR) 1984-09-26 — — 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-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ATM 3687/4885TDP1 4302/4885ESPL1 4499/4885
US-11639347-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 ATM 3687/4885TDP1 4302/4885ESPL1 4499/4885
US-20230100634-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ATM 3687/4885TDP1 4302/4885ESPL1 4499/4885
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ATM 3687/4885TDP1 4302/4885ESPL1 4499/4885

“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.