SCHEMBL14865962

SCHEMBL14865962

Cc1ccc(-c2ccc3c(c2)CCC(=O)N3CC#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.48
CYP11B2 P19099 5/20 0.48
CYP1A2 P05177 3/20 0.48
ATAD2 Q6PL18 1/20 0.45
ALDH1A1 P00352 2/20 0.42
TP53 P04637 2/20 0.41
HPGD P15428 1/20 0.41
CYP17A1 P05093 1/20 0.40
CYP19A1 P11511 1/20 0.40
SRD5A1 P18405 1/20 0.39
POLB P06746 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
BRD4 O60885 2/20 0.36
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL3307667 0.84 KIF11 (0.45) CYP11B1CYP11B2CYP1A2ATAD2CYP17A1
SCHEMBL14865932 0.80 HTT (0.48) CYP11B1CYP11B2CYP1A2ATAD2TP53
SCHEMBL16574003 0.77 CYP11B1 (0.62) CYP11B1CYP11B2CYP1A2TP53HPGD
SCHEMBL13330272 0.75 HSP90AA1 (0.53) CYP11B1CYP11B2CYP1A2ALDH1A1POLB
SCHEMBL14865940 0.74 CYP1A2 (0.45) CYP11B1CYP11B2CYP1A2ATAD2ALDH1A1
SCHEMBL14866095 0.74 HDAC6 (0.55) CYP11B1CYP11B2CYP1A2ALDH1A1POLB
SCHEMBL14866024 0.74 MET (0.48) CYP11B1CYP11B2CYP1A2ATAD2TP53
SCHEMBL14866041 0.73 CYP1A2 (0.44) CYP11B1CYP11B2CYP1A2ATAD2ALDH1A1
SCHEMBL435242 0.72 ATAD2 (0.69) CYP11B1CYP11B2CYP1A2ATAD2ALDH1A1
SCHEMBL14866043 0.72 KMT2A (0.49) CYP11B1CYP11B2CYP1A2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8952007-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-02-10 US disclosed
US-8664379-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-03-04 US disclosed
US-20130096122-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2013-04-18 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-20130096122-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, CACNA1E CYP11B1 1355/4885CYP11B2 1629/4885CYP1A2 1928/4885

“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.