SCHEMBL3525189

SCHEMBL3525189

N#CC(c1cccc(F)n1)(c1cccc(F)n1)c1cccc(F)n1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
TGFBR1 P36897 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL2556316 0.82 JAK2 (0.43) MAPT
SCHEMBL29463867 0.75 P2RX7 (0.44) PGK1PGK2
SCHEMBL415739 0.75 P2RX7 (0.44) PGK1PGK2
SCHEMBL2565469 0.73 MAPT (0.35) PGK1PGK2CYP3A4TSHRMAPT
SCHEMBL16472119 0.73 MAPT (0.35) PGK1PGK2CYP3A4TSHRMAPT
SCHEMBL17184335 0.73 CYP3A4 (0.58) PGK1PGK2CYP3A4TSHRMAPT
SCHEMBL10749077 0.71 CYP3A4 (0.40) PGK1PGK2CYP3A4TSHRMAPT
SCHEMBL29168104 0.70 IRAK4 (0.33) PGK1PGK2CYP3A4TSHRMAPT
SCHEMBL116643 0.69
SCHEMBL30259849 0.68

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
US-7709533-B2 Imines as ion channel modulators ICAGEN, INC. (US) 2010-05-04 US disclosed
EP-1861356-A1 IMINES AS ION CHANNEL MODULATORS Icagen, Inc. (US) 2007-12-05 EP disclosed
US-20060178346-A1 Imines as ion channel modulators ICAGEN, INC. (US) 2006-08-10 US disclosed
WO-2006084031-A1 IMINES AS ION CHANNEL MODULATORS ICAGEN, INC. (US) 2006-08-10 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-20060178346-A1 Imines as ion channel modulators KCNN1, KCNN3, KCNN2 PGK1 386/4885PGK2 474/4885CYP3A4 3054/4885

“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.