SCHEMBL9998730

SCHEMBL9998730

N#Cc1nc(C(F)(F)Cl)[nH]c1C#N

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
AR P10275 1/20 0.31

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
SCHEMBL2034224 0.84 ALDH1A1 (0.42) ALDH1A1MAPK1
SCHEMBL29019598 0.82 ALDH1A1 (0.41) ALDH1A1MAPK1
Lithium SCHEMBL30748652 0.82 ALDH1A1 (0.41) ALDH1A1MAPK1
SCHEMBL29141961 0.82 ALDH1A1 (0.41) ALDH1A1MAPK1
SCHEMBL25384999 0.82 ALDH1A1 (0.41) ALDH1A1MAPK1
SCHEMBL25343357 0.82 ALDH1A1 (0.41) ALDH1A1MAPK1
Ammonia Solution, Strong SCHEMBL31709613 0.82 ALDH1A1 (0.41) ALDH1A1MAPK1
Potassium SCHEMBL31463361 0.82 ALDH1A1 (0.41) ALDH1A1MAPK1
SCHEMBL21194948 0.82 ALDH1A1 (0.41) ALDH1A1MAPK1
SCHEMBL30028129 0.82 ALDH1A1 (0.41) ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452987-B2 Five-membered cyclic anion use thereof as an electrolyte CENTRE NAT RECH SCIENT (FR) 2016-09-27 US disclosed
US-20150315155-A1 FIVE-MEMBERED CYCLIC ANION USE THEREOF AS AN ELECTROLYTE CENTRE NAT RECH SCIENT (FR) 2015-11-05 US disclosed
CN-104262259-A Pentacyclic Anion Salt And Use Thereof As An Electrolyte CENTRE NAT RECH SCIENT 2015-01-07 CN disclosed
US-8927160-B2 Pentacyclic anion salt and use thereof as an electrolyte CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-01-06 US disclosed
US-20110311884-A1 PENTACYCLIC ANION SALT AND USE THEREOF AS AN ELECTROLYTE UNIVERSITE DE PICARDIE JULES VERNE (FR) 2011-12-22 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-20110311884-A1 PENTACYCLIC ANION SALT AND USE THEREOF AS AN ELECTROLYTE AFF1, SLCO4C1, F9 ALDH1A1 2110/4885MAPK1 321/4885AR 2004/4885
US-20150315155-A1 FIVE-MEMBERED CYCLIC ANION USE THEREOF AS AN ELECTROLYTE KCNA5, SLCO4C1, AFF1 ALDH1A1 2092/4885MAPK1 927/4885AR 3051/4885

“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.