SCHEMBL10035934

SCHEMBL10035934

O=[N+]([O-])c1ccc(N2CCC(C(F)(F)F)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.59
MAPT P10636 6/20 0.58
SIRT6 Q8N6T7 2/20 0.55
ALDH1A1 P00352 2/20 0.55
ADRB1 P08588 1/20 0.55
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
LMNA P02545 1/20 0.50
HRH3 Q9Y5N1 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL25175239 0.84 MAPT (0.55) POLBMAPTSIRT6ALDH1A1ADRB1
SCHEMBL25447159 0.84 MAPT (0.59) POLBMAPTSIRT6ALDH1A1ADRB1
SCHEMBL25191133 0.84 POLB (0.54) POLBMAPTSIRT6ALDH1A1ADRB1
SCHEMBL29218791 0.84 MAPT (0.55) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL30279049 0.84 MAPT (0.55) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL25197695 0.83 POLB (0.67) POLBMAPTSIRT6ALDH1A1ADRB1
SCHEMBL6716274 0.82 MAPT (0.56) POLBMAPTSIRT6ALDH1A1ADRB1
SCHEMBL18296386 0.82 MAPT (0.59) POLBMAPTSIRT6ALDH1A1ADRB1
SCHEMBL26641041 0.81 MAPT (0.56) POLBMAPTSIRT6ALDH1A1ADRB1
SCHEMBL15271381 0.79 SIRT6 (0.81) POLBMAPTSIRT6ALDH1A1ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115151252-B Iron death inhibitor-diarylamine acetamides 维泰瑞隆有限公司 2024-08-27 CN disclosed
US-20230159492-A1 FERROPTOSIS INHIBITORS - DIARYLAMINE PARA-ACETAMIDES Sironax Ltd. (KY) 2023-05-25 US disclosed
CN-115151252-A Iron death inhibitors diarylamine para-acetamides 维泰瑞隆有限公司 2022-10-04 CN disclosed
WO-2012053606-A1 ARYLAMINOHETEROCYCLIC CARBOXAMIDE COMPOUND アステラス製薬株式会社 (JP) 2012-04-26 WO 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-20230159492-A1 FERROPTOSIS INHIBITORS - DIARYLAMINE PARA-ACETAMIDES AIFM2, FECH, GPX4 POLB 4641/4885MAPT 4384/4885SIRT6 914/4885

“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.