SCHEMBL8340872

SCHEMBL8340872

CC(C#N)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.62
ALDH1A1 P00352 1/20 0.62
MAPK1 P28482 5/20 0.56
PKM P14618 2/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
GAA P10253 1/20 0.50
POLB P06746 1/20 0.48
LMNA P02545 1/20 0.47
EPAS1 Q99814 1/20 0.47
KCNMA1 Q12791 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL115470 0.85 MAPT (0.70) MAPTALDH1A1MAPK1PKMKMT2A
SCHEMBL124856 0.82 MAPT (0.70) MAPTALDH1A1MAPK1PKMKMT2A
SCHEMBL5461147 0.80 MAPT (0.67) MAPTALDH1A1MAPK1PKMKMT2A
SCHEMBL116464 0.80 MAPT (0.64) MAPTALDH1A1MAPK1PKMKMT2A
SCHEMBL9030307 0.80 MAPT (0.64) MAPTALDH1A1MAPK1PKMKMT2A
SCHEMBL7455626 0.79 MAPT (0.66) MAPTALDH1A1MAPK1PKMKMT2A
SCHEMBL7823365 0.79 MAPT (0.77) MAPTALDH1A1MAPK1PKMKMT2A
SCHEMBL7350226 0.78 MAPT (0.65) MAPTALDH1A1MAPK1PKMKMT2A
SCHEMBL116971 0.77 MAPK1 (0.65) MAPTALDH1A1MAPK1PKMKMT2A
SCHEMBL10918468 0.77 ALDH1A1 (0.47) MAPTALDH1A1MAPK1PKMKMT2A

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
EP-4524129-A1 METHOD FOR PREPARING 2-SUBSTITUTED ARYL ACETONITRILE COMPOUND AND USE THEREOF Maxunitech Inc. (CN) 2025-03-19 EP disclosed
US-20250059132-A1 METHOD FOR PREPARING 2-SUBSTITUTED ARYLACETONITRILE COMPOUND AND APPLICATION THEREOF MAXUNITECH INC (CN) 2025-02-20 US disclosed
US-5955461-A Quinoxalinedione derivatives, their production and use in pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1999-09-21 US disclosed
US-5750525-A Quinoxalinedione derivatives, their production and use in pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1998-05-12 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 (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-20250059132-A1 METHOD FOR PREPARING 2-SUBSTITUTED ARYLACETONITRILE COMPOUND AND APPLICATION THEREOF CYP1B1, CYP1A2, CYP2C9 MAPT 3935/4885ALDH1A1 209/4885MAPK1 1760/4885

“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.