SCHEMBL29540299

SCHEMBL29540299

Nc1ccc(C(c2ccc(N)c(N)c2)(C(F)(F)F)C(F)(F)F)cc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
ALDH1A1 P00352 7/20 0.41
TDP1 Q9NUW8 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 3/20 0.38
PKM P14618 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
CYP3A4 P08684 2/20 0.37
ALOX15 P16050 2/20 0.37
TSHR P16473 2/20 0.37
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37
NR4A1 P22736 1/20 0.36
PTPN5 P54829 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35

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
SCHEMBL296596 1.00 ESR1 (0.44) ESR1ESR2ALDH1A1TDP1MEN1
SCHEMBL20869791 0.92 ESR1 (0.43) ESR1ESR2ALDH1A1TDP1MEN1
SCHEMBL23836629 0.90 ESR1 (0.42) ESR1ESR2ALDH1A1TDP1MEN1
SCHEMBL21122316 0.88 ALDH1A1 (0.42) ESR1ESR2ALDH1A1TDP1MEN1
SCHEMBL27150221 0.87 TSHR (0.55) ESR1ESR2ALDH1A1TDP1MEN1
SCHEMBL31345743 0.82 ESR2 (0.41) ESR1ESR2ALDH1A1TDP1MEN1
SCHEMBL1352918 0.82 CYP3A4 (0.48) ESR1ESR2ALDH1A1TDP1KDM4E
SCHEMBL28567219 0.82 ESR2 (0.41) ESR1ESR2ALDH1A1TDP1MEN1
SCHEMBL295863 0.82 ESR1 (0.41) ESR1ESR2ALDH1A1MEN1KMT2A
SCHEMBL29464084 0.82 ESR1 (0.41) ESR1ESR2ALDH1A1MEN1KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250388728-A1 RUBBER COMPOSITION AND METHOD FOR PRODUCING RUBBER COMPOSITION AGC Inc. (JP) 2025-12-25 US disclosed
CN-112543788-B Fluoropolymer-containing composition and molded article 大金工业株式会社 2023-10-24 CN disclosed
CN-111108145-B Polybenzimidazole, its precursor polyamide and process for their production 大金工业株式会社 2023-09-15 CN disclosed
US-20230128992-A1 POLYBENZIMIDAZOLE, PRECURSOR POLYAMIDE THEREOF, AND METHOD FOR PRODUCING SAME DAIKIN INDUSTRIES, LTD. (JP) 2023-04-27 US disclosed
CN-115362208-A Fluorine-containing copolymer composition and crosslinked rubber article AGC株式会社 2022-11-18 CN disclosed
US-20220315732-A1 Curable Fluoropolymer Compositions Comprising Metal Fluoride Particles and Articles Therefrom 3M INNOVATIVE PROPERTIES COMPANY 2022-10-06 US disclosed
WO-2022114012-A1 FLUOROPOLYMER, AQUEOUS LIQUID DISPERSION, COMPOSITION, AND CROSSLINKED PRODUCT ダイキン工業株式会社 2022-06-02 WO disclosed
WO-2022107890-A1 METHOD FOR MANUFACTURING PERFLUOROELASTOMER AQUEOUS DISPERSION, COMPOSITION, CROSSLINKABLE COMPOSITION, AND CROSSLINKED PRODUCT ダイキン工業株式会社 2022-05-27 WO disclosed
CN-109578581-B Seal comprising metal cover, method of making same, and method of using same 台湾积体电路制造股份有限公司 2022-03-25 CN 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 (1 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-20250388728-A1 RUBBER COMPOSITION AND METHOD FOR PRODUCING RUBBER COMPOSITION PFAS, RIF1, FRK ESR1 2399/4885ESR2 2763/4885ALDH1A1 3676/4885

“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.