SCHEMBL1026402

SCHEMBL1026402

O=[N+]([O-])c1cc(C(F)(F)F)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
MAPK1 P28482 3/20 0.56
HPGD P15428 2/20 0.56
TSHR P16473 2/20 0.56
TP53 P04637 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
GPR35 Q9HC97 1/20 0.56
ALOX15 P16050 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
CYP3A4 P08684 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
TDP1 Q9NUW8 1/20 0.55
KCNMA1 Q12791 1/20 0.55
HSD17B10 Q99714 1/20 0.55
TTR P02766 1/20 0.54
ALDH5A1 P51649 1/20 0.51
ABAT P80404 1/20 0.51

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
SCHEMBL9319069 0.92 KCNMA1 (0.49) ALDH1A1MAPK1HPGDTSHRTP53
SCHEMBL1027549 0.86 ALDH1A1 (0.53) ALDH1A1MAPK1HPGDTSHRTP53
SCHEMBL31447707 0.86 ALDH1A1 (0.53) ALDH1A1MAPK1HPGDTSHRTP53
SCHEMBL1026013 0.86 ALDH1A1 (0.53) ALDH1A1MAPK1HPGDTSHRTP53
SCHEMBL4649869 0.86 ALDH1A1 (0.53) ALDH1A1MAPK1HPGDTSHRTP53
SCHEMBL29837196 0.86 ALDH1A1 (0.53) ALDH1A1MAPK1HPGDTSHRTP53
SCHEMBL6823350 0.85 GPR35 (0.56) ALDH1A1MAPK1HPGDTSHRGPR35
SCHEMBL1024910 0.85 GPR35 (0.56) ALDH1A1MAPK1HPGDTSHRGPR35
SCHEMBL11654910 0.83 GPR35 (0.50) ALDH1A1MAPK1HPGDTSHRTP53
SCHEMBL4544532 0.83 MAPK1 (0.50) ALDH1A1MAPK1HPGDTSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110059850-A1 PHYTOTOXIC HALOGENATED DERIVATIVES OF BENZOXAZINONES UNIVERSIDAD DE CÁDIZ (ES) 2011-03-10 US claimed
US-7807821-B1 Method for the synthesis of nucleic acid without protecting base moiety JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-10-05 US claimed
EP-2048136-A1 PHYTOTOXIC HALOGENATED DERIVATIVES OF BENZOXAZINONES Universidad de Cadiz (ES) 2009-04-15 EP claimed
EP-1721908-A1 NOVEL METHOD OF SYNTHESIZING NUCLEIC ACID WITHOUT PROTECTING NUCLEOTIDE BASES Japan Science and Technology Agency (JP) 2006-11-15 EP claimed
JP-52131539-A None JP disclosed
US-12403144-B2 HECT E3 ligase inhibitors and uses thereof IFOM —FONDAZIONE ISTITUTO FIRC DI ONCOLOGIA MOLECOLARE (IT) 2025-09-02 US disclosed
US-20240409533-A1 HMOX1 INDUCERS Astellas Engineered Small Molecules US, Incorporated 2024-12-12 US disclosed
CN-113874074-B HMOX1 inducers 米托布里奇公司 2024-11-01 CN disclosed
US-12071433-B2 HMOX1 inducers Astellas Engineered Small Molecules US, Incorporated (US) 2024-08-27 US disclosed
CN-118388379-A Organic total synthesis method of nimesulide derivative 大连理工大学 2024-07-26 CN disclosed
US-20240051952-A1 HMOX1 INDUCERS Astellas Engineered Small Molecules US, Incorporated 2024-02-15 US disclosed
EP-3976185-B1 HECT E3 LIGASE INHIBITORS AND USES THEREOF IFOM ST FONDAZIONE DI ONCOLOGIA MOLECOLARE ETS (IT) 2024-02-14 EP disclosed
US-4225731-A Process for the preparation of trifluoromethylphenols BAYER AKTIENGESELLSCHAFT (DE) 1980-09-30 US disclosed
US-4180572-A Lipogenesis control by esters of benzoxazinecarboxylic acids SHELL OIL COMPANY (US) 1979-12-25 US disclosed
US-4164576-A LIPOGENESIS INHIBITORS IN MAMMALS SHELL OIL COMPANY (US) 1979-08-14 US disclosed
EP-0000542-A1 Process for the preparation of trifluoromethyl phenols BAYER AG (DE) 1979-02-07 EP disclosed
JP-S52131539-A PHENOXYPHENOXYPROPIONIC ACID DERIVATIVES AND HERBICIDES ISHIHARA SANGYO KAISHA LTD 1977-11-04 JP disclosed
US-4031232-A 1-Alkyl-2-(phenoxymethyl)-5-nitro-imidazoles and process for their manufacture HOECHST AKTIENGESELLSCHAFT (DT) 1977-06-21 US disclosed
US-3941832-A Oxime ethers and pesticidal preparations containing them CIBA-GEIGY AG (CH) 1976-03-02 US disclosed
US-3941839-A HERBICIDE CIBA-GEIGY AG (CH) 1976-03-02 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 (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-12403144-B2 HECT E3 ligase inhibitors and uses thereof NEDD4, ITCH, UBE3A ALDH1A1 2114/4885MAPK1 3151/4885HPGD 3455/4885
US-20240409533-A1 HMOX1 INDUCERS HMOX1, HMOX2, HMBS ALDH1A1 332/4885MAPK1 3619/4885HPGD 8/4885
US-12071433-B2 HMOX1 inducers HMOX1, HMOX2, HMBS ALDH1A1 223/4885MAPK1 2789/4885HPGD 9/4885
US-20240051952-A1 HMOX1 INDUCERS HMOX1, HMOX2, QSOX1 ALDH1A1 266/4885MAPK1 2914/4885HPGD 14/4885

“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.