SCHEMBL13337361

SCHEMBL13337361

[C-]#[N+]c1cc(N)ccc1Br

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
GAA P10253 1/20 0.33
CYP3A4 P08684 3/20 0.31
TSHR P16473 1/20 0.31
CASP1 P29466 2/20 0.31
RECQL P46063 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL12547683 0.78 MEN1 (0.35) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL29952446 0.76 HSP90AA1 (0.41) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL12678959 0.73 ALDH1A1 (0.35) ALDH1A1MAPTMEN1KMT2AALOX15
SCHEMBL9272564 0.73 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL29953721 0.73 PKM (0.31) ALDH1A1
SCHEMBL29407502 0.69
SCHEMBL632670 0.69
SCHEMBL29643309 0.68 TAS2R14 (0.36) ALDH1A1MAPTKDM4EMAPK1TSHR
SCHEMBL13130557 0.68 GAA (0.50) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL12619111 0.68 MEN1 (0.30) ALDH1A1MAPTMEN1KMT2ARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389500-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2013-03-05 US disclosed
US-20100113449-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-06 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-20100113449-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, HCN4, KCNH2 ALDH1A1 930/4885MAPT 3407/4885MEN1 1602/4885

“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.