SCHEMBL204956

SCHEMBL204956

Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
MAPT P10636 5/20 0.60
LMNA P02545 2/20 0.60
TDP1 Q9NUW8 4/20 0.58
CYP3A4 P08684 2/20 0.58
ALOX15 P16050 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
POLB P06746 1/20 0.58
TSHR P16473 2/20 0.55
HPGD P15428 1/20 0.55
HIF1A Q16665 1/20 0.55
TXNRD1 Q16881 1/20 0.55
TXNRD3 Q86VQ6 1/20 0.55
TXNRD2 Q9NNW7 1/20 0.55
MAPK1 P28482 2/20 0.50
PTPN5 P54829 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
GAA P10253 1/20 0.48
PKM P14618 1/20 0.47

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
SCHEMBL30515345 1.00 ALDH1A1 (0.64) ALDH1A1MAPTLMNATDP1CYP3A4
SCHEMBL7032441 0.87 ALDH1A1 (0.50) ALDH1A1MAPTLMNATDP1CYP3A4
SCHEMBL3901007 0.86 TDP1 (0.71) ALDH1A1MAPTLMNATDP1CYP3A4
SCHEMBL9390866 0.86 TDP1 (0.55) ALDH1A1MAPTLMNATDP1CYP3A4
SCHEMBL331522 0.85 ALDH1A1 (0.64) ALDH1A1MAPTLMNATDP1CYP3A4
SCHEMBL30807893 0.85 TDP1 (0.62) ALDH1A1MAPTLMNATDP1CYP3A4
SCHEMBL14115524 0.83 ALDH1A1 (0.47) ALDH1A1MAPTLMNATDP1CYP3A4
SCHEMBL7240751 0.82 ALDH1A1 (0.60) ALDH1A1MAPTLMNATDP1CYP3A4
SCHEMBL29942185 0.82 ALDH1A1 (0.60) ALDH1A1MAPTLMNATDP1CYP3A4
SCHEMBL24711415 0.82 TDP1 (0.50) ALDH1A1MAPTLMNATDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114591365-B Luminous copper compound based on benzimidazole phosphine oxide ligand and preparation method and application thereof 郑州大学 2023-09-05 CN claimed
CN-114591365-A Light-emitting copper compound based on benzimidazole phosphine oxide ligand and preparation method and application thereof 郑州大学 2022-06-07 CN claimed
US-20060116407-A1 Amide derivatives HOFFMANN-LA ROCHE INC. 2006-06-01 US claimed
US-6605727-B2 Processes for the preparation of benzotriazole UV absorbers CIBA SPECIALTY CHEMICALS CORPORATION 2003-08-12 US claimed
US-20030130524-A1 Processes for the preparation of benzotriazole UV absorbers WOOD MERVIN G (US) 2003-07-10 US claimed
US-20030120083-A1 Processes for the preparation of benzotriazole UV absorbers WOOD MERVIN G (US) 2003-06-26 US claimed
US-6372030-B1 INK VEHICLE SELECTED FROM 4-(HEXADECYLAMINO)BENZYLAMINE, N-OCTANOYL-N-METHYL GLUCAMINE, OCTANOIC HYDRAZIDE, 4-HEXADECYL SULFONYL ANILINE, A CONDUCTIVE COMPLEX OF AN AMINE COMPOUND WITH A PHOSPHORUS OR SULFUR-CONTAINING ACID XEROX CORPORATION 2002-04-16 US claimed
US-20020035175-A1 Processes for the preparation of benzotriazole UV absorbers CIBA SPECIALTY CHEMICALS CORP. 2002-03-21 US claimed
US-6353113-B1 DIAZOTIZING THE PERFLUOROALKYL SUBSTITUTED O-NITROANILINE WITH SULFURIC ACID AND SODIUM NITRITE OR NITROSYLSULFURIC ACID TO FORM THE CORRESPONDING MONOAZOBENZENE INTERMEDIATE VIA THE DIAZONIUM SALT INTERMEDIATE WHICH IS THEN REDUCED CIBA SPECIALTY CHEMICALS CORPORATION 2002-03-05 US claimed
US-5354495-A Homo- or copolymerizable through ethylenic unsaturation NIPPON PAINT CO., LTD. (JP) 1994-10-11 US claimed
EP-0177122-B1 ACRYLAMIDE DERIVATIVES Nippon Paint Co., Ltd. (JP) 1992-04-01 EP claimed
EP-0182330-B1 USE OF 2-NITROANILINE DERIVATIVES AS HAIR DYEING AGENTS, AND 2-NITROANILINE DERIVATIVES Wella Aktiengesellschaft (DE) 1991-05-15 EP claimed
US-4935413-A ELASTICITY, ADHESION AND DISPERSIBILITY NIPPON PAINT CO., LTD. (JP) 1990-06-19 US claimed
EP-0182330-A2 Use of 2-nitroaniline derivatives as hair dyeing agents, and 2-nitroaniline derivatives Wella Aktiengesellschaft (DE) 1986-05-28 EP claimed
JP-2233649-A None JP disclosed
EP-4713720-A2 HIGH-ENERGY-VIOLET-ABSORBING VINYLIC MONOMERS Alcon Inc. (CH) 2026-03-25 EP disclosed
US-20260022099-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF NEXYS THERAPEUTICS, INC. (US) 2026-01-22 US disclosed
US-RE28939-E MUSCLE RELAXANTS, ANALGESICS SMITHKLINE CORPORATION (US) 1976-08-24 US disclosed
US-3957860-A SULFAMIC ACID CIBA-GEIGY AG (CH) 1976-05-18 US disclosed
US-3931145-A POLYESTER GAF CORPORATION (US) 1976-01-06 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 (5 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-20020035175-A1 Processes for the preparation of benzotriazole UV absorbers SULT1A1, SULT2A1, NISCH ALDH1A1 858/4885MAPT 1737/4885LMNA 1811/4885
US-20060116407-A1 Amide derivatives GLS, SDHA, GLS2 ALDH1A1 71/4885MAPT 3340/4885LMNA 2181/4885
US-20030120083-A1 Processes for the preparation of benzotriazole UV absorbers SULT1A1, SULT2A1, NISCH ALDH1A1 858/4885MAPT 1737/4885LMNA 1811/4885
US-20030130524-A1 Processes for the preparation of benzotriazole UV absorbers SULT1A1, SULT2A1, NISCH ALDH1A1 858/4885MAPT 1737/4885LMNA 1811/4885
US-20260022099-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF AHR, NR1H4, CNR1 ALDH1A1 807/4885MAPT 1624/4885LMNA 3897/4885

“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.