SCHEMBL1275645

SCHEMBL1275645

O=[N+]([O-])c1cc(OC(F)(F)F)ccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
RAF1 P04049 1/20 0.48
GFER P55789 1/20 0.48
PAX8 Q06710 1/20 0.48
VCAM1 P19320 10/20 0.47
APLNR P35414 1/20 0.45
TDP1 Q9NUW8 2/20 0.42
TXNRD1 Q16881 2/20 0.42
TSHR P16473 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
HIF1A Q16665 1/20 0.42
TXNRD3 Q86VQ6 1/20 0.42
TXNRD2 Q9NNW7 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 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
SCHEMBL31191383 1.00 MAPK1 (0.48) MAPK1ALDH1A1HPGDLMNAMAPT
SCHEMBL31009400 0.91 APLNR (0.45) MAPK1ALDH1A1HPGDLMNAMAPT
SCHEMBL29624965 0.87 TSHR (0.53) MAPK1ALDH1A1HPGDLMNAMAPT
SCHEMBL998214 0.87 TSHR (0.53) MAPK1ALDH1A1HPGDLMNAMAPT
SCHEMBL11442494 0.86 LMNA (0.45) MAPK1ALDH1A1HPGDLMNAMAPT
SCHEMBL23388212 0.83 MAPT (0.70) MAPK1ALDH1A1HPGDLMNAMAPT
SCHEMBL29936440 0.82 APLNR (0.43) MAPK1ALDH1A1HPGDLMNAMAPT
SCHEMBL23388231 0.82 APLNR (0.43) MAPK1ALDH1A1HPGDLMNAMAPT
SCHEMBL31237064 0.81 ALDH1A1 (0.53) ALDH1A1LMNAMAPTVCAM1TDP1
SCHEMBL1275648 0.81 ALDH1A1 (0.53) ALDH1A1LMNAMAPTVCAM1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112159329-B Co-production preparation method of o-amino trifluoromethoxybenzene and m-amino trifluoromethoxybenzene 大连奇凯医药科技有限公司 2022-09-06 CN claimed
CN-112159329-A Co-production preparation method of o-amino trifluoromethoxybenzene and m-amino trifluoromethoxybenzene 大连奇凯医药科技有限公司 2021-01-01 CN claimed
US-11655203-B2 Nitration ETH ZURICH (CH) 2023-05-23 US disclosed
US-11655203-B2 Nitration ETH ZURICH (CH) 2023-05-23 US disclosed
US-11655203-B2 Nitration ETH ZURICH (CH) 2023-05-23 US disclosed
CN-112159329-B Co-production preparation method of o-amino trifluoromethoxybenzene and m-amino trifluoromethoxybenzene 大连奇凯医药科技有限公司 2022-09-06 CN disclosed
CN-112159329-B Co-production preparation method of o-amino trifluoromethoxybenzene and m-amino trifluoromethoxybenzene 大连奇凯医药科技有限公司 2022-09-06 CN disclosed
US-20220009875-A1 NITRATION ETH ZURICH (CH) 2022-01-13 US disclosed
US-20220009875-A1 NITRATION ETH ZURICH (CH) 2022-01-13 US disclosed
CN-113302186-A Nitration 瑞士苏黎世联邦理工学院 2021-08-24 CN disclosed
EP-3717464-B1 NITRATION ETH ZUERICH (CH) 2021-06-16 EP disclosed
WO-2001077062-A1 METHOD FOR PRODUCING 4-BROMO- AND 4-CHLORO-2-NITRO-1-TRIFLUOROMETHOXYBENZENE BAYER AKTIENGESELLSCHAFT (DE) 2001-10-18 WO disclosed
EP-0820981-B1 Process for the preparation of 2-trifluoromethoxy-aniline BAYER AG (DE) 2000-10-18 EP disclosed
US-6121492-A Method for preparing 2-trifluoro-methoxy-aniline RHODIA CHIMIE (FR) 2000-09-19 US disclosed
EP-0984920-A1 NOVEL METHOD FOR PREPARING 2-TRIFLUORO-METHOXY-ANILINE RHODIA CHIMIE (FR) 2000-03-15 EP disclosed
WO-1998054121-A1 NOVEL METHOD FOR PREPARING 2-TRIFLUORO-METHOXY-ANILINE RHODIA-CHIMIE (FR) 1998-12-03 WO disclosed
US-5840983-A Process for preparing 2-trifluoromethoxy-aniline BAYER AKTIENGESELLSCHAFT (DE) 1998-11-24 US disclosed
EP-0820981-A1 Process for the preparation of 2-trifluoromethoxy-aniline BAYER AG (DE) 1998-01-28 EP disclosed
US-4259532-A TRIFLUOROMETHOXYHALOPHENOL E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-03-31 US disclosed
US-4192669-A DERIVATIVES OF 2-(4-(4-(TRIFLUOROMETHOXY)-PHENOXY)PHENOXY)AALKANOIC ACIDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-03-11 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 (2 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-20220009875-A1 NITRATION NOS1, NOS2, NOS3 MAPK1 430/4885ALDH1A1 2335/4885HPGD 464/4885
US-11655203-B2 Nitration NOS1, NOS2, NOS3 MAPK1 430/4885ALDH1A1 2335/4885HPGD 464/4885

“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.