SCHEMBL379155

SCHEMBL379155

Nc1ccc(C(F)(F)F)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
IDO1 P14902 2/20 0.48
MPL P40238 2/20 0.47
KDM4E B2RXH2 2/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
KIF11 P52732 3/20 0.46
PDE2A O00408 3/20 0.46
NOS3 P29474 1/20 0.43
NOS2 P35228 1/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
GFER P55789 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
BACE1 P56817 1/20 0.42

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
Hydrochloric Acid SCHEMBL30779699 0.98 IDO1 (0.52) ALDH1A1IDO1MPLKDM4EPKM
Bromide SCHEMBL29950269 0.98 ALDH1A1 (0.50) ALDH1A1IDO1MPLKDM4EPKM
SCHEMBL3899696 0.83 KIF11 (0.57) ALDH1A1KIF11
SCHEMBL5366083 0.82 ALDH1A1 (0.48) ALDH1A1IDO1MPLKDM4EPKM
SCHEMBL941310 0.82 ALDH1A1 (0.48) ALDH1A1IDO1MPLKDM4EPKM
SCHEMBL9727879 0.82 ALDH1A1 (0.48) ALDH1A1IDO1MPLKDM4EPKM
SCHEMBL309479 0.81 ALDH1A1 (0.52) ALDH1A1IDO1MPLKDM4EPKM
SCHEMBL161784 0.80 ALDH1A1 (0.55) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL29505675 0.80 ALDH1A1 (0.55) ALDH1A1KDM4EPKMHPGDHSD17B10
Hydrochloric Acid SCHEMBL4381686 0.79 IDO1 (0.52) ALDH1A1IDO1MPLKDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117800848-A Method for synthesizing 2-fluoro-4- (trifluoromethyl) aniline 苏州莱克施德药业有限公司 2024-04-02 CN claimed
CN-117712391-A Electrode catalyst, preparation method thereof, membrane electrode and fuel cell 苏州擎动动力科技有限公司 2024-03-15 CN claimed
EP-2906559-B1 AZAINDOLINES HOFFMANN LA ROCHE (CH) 2017-02-08 EP claimed
US-9309248-B2 Azaindolines HOFFMANN-LA ROCHE INC. (US) 2016-04-12 US claimed
US-20150266879-A1 AZAINDOLINES HOFFMANN-LA ROCHE INC. 2015-09-24 US claimed
EP-2906559-A1 AZAINDOLINES F. Hoffmann-La Roche AG (CH) 2015-08-19 EP claimed
WO-2014056871-A1 AZAINDOLINES F. HOFFMANN-LA ROCHE AG (CH) 2014-04-17 WO claimed
EP-1524261-B1 Process for preparing fluorinated anilines SALTIGO GMBH (DE) 2008-06-11 EP claimed
US-7154006-B2 Preparation of fluorinated anilines BAYER AKTIENGESELLSCHAFT (DE) 2006-12-26 US claimed
US-20050101795-A1 Preparation of fluorinated anilines BAYER CHEMICALS AG 2005-05-12 US claimed
EP-1524261-A1 Process for preparing fluorinated anilines Bayer Chemicals AG (DE) 2005-04-20 EP claimed
EP-0543633-B1 Process for producing 4-amino-3-fluorobenzotrifluoride SUMITOMO CHEMICAL CO (JP) 1996-10-30 EP claimed
US-5300692-A Process for producing 4-amino-3-fluorobenzotrifluoride SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-04-05 US claimed
EP-0543633-A2 Process for producing 4-amino-3-fluorobenzotrifluoride SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-05-26 EP claimed
US-4766243-A Electrophilic fluorination of aromatic compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1988-08-23 US claimed
JP-5201935-A None JP disclosed
EP-4347571-B1 TRIAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER. HOFFMANN LA ROCHE (CH) 2026-04-22 EP disclosed
US-4243819-A Substituted amino acids ZOECON CORPORATION (US) 1981-01-06 US disclosed
US-4226802-A 2-(4-Trifluoromethylphenylamino)-3-methylbutanoic acid esters and intermediates therefor ZOECON CORPORATION (US) 1980-10-07 US disclosed
US-4059402-A SUBLIMATION, MONOAZO DYES BAYER AKTIENGESELLSCHAFT (DT) 1977-11-22 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-20050101795-A1 Preparation of fluorinated anilines FLNA, FLNB, FLI1 ALDH1A1 559/4885IDO1 721/4885MPL 2497/4885
US-20150266879-A1 AZAINDOLINES AZI2, H1-5, CCNY ALDH1A1 682/4885IDO1 449/4885MPL 1916/4885

“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.