SCHEMBL2654731

SCHEMBL2654731

O=[N+]([O-])c1cc(C(F)(F)F)cc(F)c1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
CYP3A4 P08684 3/20 0.61
TDP1 Q9NUW8 3/20 0.61
TSHR P16473 2/20 0.61
HPGD P15428 1/20 0.61
ALOX15 P16050 1/20 0.61
HIF1A Q16665 1/20 0.61
TXNRD1 Q16881 1/20 0.61
TXNRD3 Q86VQ6 1/20 0.61
TXNRD2 Q9NNW7 1/20 0.61
PTPN5 P54829 1/20 0.51
MAPK1 P28482 4/20 0.49
MAPT P10636 5/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 2/20 0.44
GAA P10253 2/20 0.44
PLK1 P53350 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALOX12 P18054 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL6203515 0.90 ALDH1A1 (0.68) ALDH1A1CYP3A4TDP1TSHRHPGD
SCHEMBL30568369 0.85 ALDH1A1 (0.61) ALDH1A1CYP3A4TDP1TSHRHPGD
SCHEMBL29804806 0.81 ALDH1A1 (0.58) ALDH1A1CYP3A4TDP1TSHRHPGD
SCHEMBL29805021 0.81 CYP3A4 (0.68) ALDH1A1CYP3A4TDP1TSHRHPGD
SCHEMBL20477136 0.81 ALDH1A1 (0.58) ALDH1A1CYP3A4TDP1TSHRHPGD
SCHEMBL10285828 0.81 ALDH1A1 (0.72) ALDH1A1CYP3A4TDP1TSHRHPGD
SCHEMBL10671642 0.81 ALDH1A1 (0.58) ALDH1A1CYP3A4TDP1TSHRHPGD
SCHEMBL1531127 0.81 CYP3A4 (0.68) ALDH1A1CYP3A4TDP1TSHRHPGD
SCHEMBL11444409 0.80 ALDH1A1 (0.66) ALDH1A1CYP3A4TDP1TSHRHPGD
SCHEMBL10440577 0.79 ALDH1A1 (0.59) ALDH1A1CYP3A4TDP1TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4704483-A FLUORINATION WITH POTASSIUM FLUORIDE OCCIDENTAL CHEMICAL CORPORATION (US) 1987-11-03 US claimed
EP-0159388-A2 Preparation of nuclear chlorinated compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1985-10-30 EP claimed
US-12485169-B2 Compounds Grey Wolf Therapeutics Limited (GB) 2025-12-02 US disclosed
CN-120025279-A Compounds capable of modulating endoplasmic reticulum aminopeptidase 1 格雷沃尔夫治疗有限公司 2025-05-23 CN disclosed
US-20230064417-A1 COMPOUNDS Grey Wolf Therapeutics Limited (GB) 2023-03-02 US disclosed
EP-3883650-A1 COMPOUNDS Grey Wolf Therapeutics Limited (GB) 2021-09-29 EP disclosed
CN-113056305-A Compound (I) 格雷沃尔夫治疗有限公司 2021-06-29 CN disclosed
US-7700638-B2 1,5,7-trisubstituted benzimidazole derivatives and their use for modulating the GABAA receptor complex N. V. ORGANON (NL) 2010-04-20 US disclosed
US-20070105862-A1 Heat-shock protein binders ABBOTT LABORATORIES 2007-05-10 US disclosed
US-20070021482-A1 1,5,7-Trisubstituted benzimidazole derivatives and their use for modulating the gabaa receptor complex N.V. ORGANON (NL) 2007-01-25 US disclosed
EP-1678144-A1 1,5,7-TRISUBSTITUTED BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA-a RECEPTOR COMPLEX Akzo Nobel N.V. (NL) 2006-07-12 EP disclosed
US-5077297-A Insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-12-31 US disclosed
EP-0398499-A2 Insecticides ZENECA LIMITED (GB) 1990-11-22 EP disclosed
EP-0338686-A2 Pyrimidinone derivatives ZENECA LIMITED (GB) 1989-10-25 EP disclosed
EP-0289036-A1 Preparation of 3-chloro-4,5-difluorobenzotrifluoride OCCIDENTAL CHEMICAL CORPORATION (US) 1988-11-02 EP disclosed
US-4704483-A FLUORINATION WITH POTASSIUM FLUORIDE OCCIDENTAL CHEMICAL CORPORATION (US) 1987-11-03 US disclosed
US-4704483-A FLUORINATION WITH POTASSIUM FLUORIDE OCCIDENTAL CHEMICAL CORPORATION (US) 1987-11-03 US disclosed
US-4704483-A FLUORINATION WITH POTASSIUM FLUORIDE OCCIDENTAL CHEMICAL CORPORATION (US) 1987-11-03 US disclosed
US-4582948-A VAPOR PHASE CHLORO-DENITRATION REACTION OCCIDENTAL CHEMICAL CORPORATION (US) 1986-04-15 US disclosed
EP-0159388-A2 Preparation of nuclear chlorinated compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1985-10-30 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-20230064417-A1 COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HRH4, CBR3 ALDH1A1 2613/4885CYP3A4 563/4885TDP1 4857/4885
US-20070021482-A1 1,5,7-Trisubstituted benzimidazole derivatives and their use for modulating the gabaa receptor complex GABRB1, GABRA5, GABRB2 ALDH1A1 541/4885CYP3A4 327/4885TDP1 2968/4885
US-12485169-B2 Compounds SLC10A1, VHL, CFTR ALDH1A1 276/4885CYP3A4 1139/4885TDP1 1403/4885
US-20070105862-A1 Heat-shock protein binders HSP90AB1, HSP90AB2P, HSP90B1 ALDH1A1 3464/4885CYP3A4 4828/4885TDP1 1667/4885

“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.