SCHEMBL6429

SCHEMBL6429

O=[N+]([O-])c1c(Cl)cccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 3/20 0.46
RORC P51449 1/20 0.41
P2RY6 Q15077 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 5/20 0.39
TSHR P16473 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
VEGFA P15692 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL31285851 1.00 EPAS1 (0.46) EPAS1RORCP2RY6CYP3A4CYP1A2
SCHEMBL1995800 0.86 TDP1 (0.46) EPAS1RORCCYP3A4ALDH1A1TSHR
SCHEMBL1459049 0.83 EPAS1 (0.43) EPAS1RORCCYP3A4ALDH1A1TSHR
SCHEMBL14200086 0.81 ALDH1A1 (0.44) ALDH1A1TSHRTDP1GRIN2DGRIN3B
Ammonia Solution, Strong SCHEMBL27176536 0.80 GRIN2D (0.37) EPAS1RORCP2RY6ALDH1A1TSHR
SCHEMBL670917 0.80 TSHR (0.58) CYP3A4ALDH1A1TSHRTDP1GRIN2D
SCHEMBL972079 0.79 ALDH1A1 (0.41) EPAS1CYP3A4ALDH1A1TSHRTDP1
SCHEMBL1459395 0.79 TSHR (0.53) EPAS1CYP3A4ALDH1A1TSHRTDP1
SCHEMBL3520821 0.78 ALDH1A1 (0.64) EPAS1CYP3A4ALDH1A1TSHRTDP1
SCHEMBL9350046 0.78 TSHR (0.48) EPAS1RORCCYP3A4ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0054464-B1 PROCESS FOR THE PREPARATION OF ORTHO-TRIFLUOROMETHYL ANILINE RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-11-21 EP claimed
EP-0054464-A1 Process for the preparation of ortho-trifluoromethyl aniline RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1982-06-23 EP claimed
WO-2025010314-A1 UREA-CONTAINING AGONISTS OF OREXIN RECEPTOR TYPE 2 VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-01-09 WO disclosed
US-20230099441-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME GENEROS BIOPHARMA LTD. (CN) 2023-03-30 US disclosed
US-20220402869-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-12-22 US disclosed
CN-111848598-A Heterocyclic ring-containing compound, application thereof and composition containing heterocyclic ring-containing compound 健艾仕生物医药有限公司 2020-10-30 CN disclosed
WO-2020216378-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2020-10-29 WO disclosed
WO-2020081572-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-04-23 WO disclosed
US-10471139-B2 Toll-like receptor agonists THE UNIVERSITY OF KANSAS (US) 2019-11-12 US disclosed
US-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS 2016-06-16 US disclosed
WO-2015023958-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS (US) 2015-02-19 WO disclosed
US-4913728-A HERBICIDES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-04-03 US disclosed
US-4603222-A Method for the preparation of nitrodiphenyl ethers OCCIDENTAL CHEMICAL CORPORATION (US) 1986-07-29 US disclosed
EP-0173349-A1 Method for the preparation of nitrodiphenyl ethers OCCIDENTAL CHEMICAL CORPORATION (US) 1986-03-05 EP disclosed
EP-0054464-B1 PROCESS FOR THE PREPARATION OF ORTHO-TRIFLUOROMETHYL ANILINE RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-11-21 EP disclosed
US-4469893-A Method for the preparation of nitrodiphenyl ethers OCCIDENTAL CHEMICAL CORPORATION (US) 1984-09-04 US disclosed
US-4387246-A CHLORINATION, NITRATION OF TRIFLUOROMETHYLBENZENE RHONE-POULENC INDUSTRIES (FR) 1983-06-07 US disclosed
EP-0054464-A1 Process for the preparation of ortho-trifluoromethyl aniline RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1982-06-23 EP disclosed
US-4225731-A Process for the preparation of trifluoromethylphenols BAYER AKTIENGESELLSCHAFT (DE) 1980-09-30 US disclosed
US-4112002-A Mononitrotrifluoromethyl diphenylethers GAF CORPORATION (US) 1978-09-05 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-20230099441-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME STAT5A, STAT5B, JAK2 EPAS1 3907/4885RORC 109/4885P2RY6 4240/4885
US-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS TLR1, TLR7, TLR8 EPAS1 1767/4885RORC 77/4885P2RY6 110/4885
US-20220402869-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 EPAS1 74/4885RORC 317/4885P2RY6 4828/4885
US-10471139-B2 Toll-like receptor agonists TLR1, TLR7, TLR8 EPAS1 1767/4885RORC 77/4885P2RY6 110/4885

“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.