SCHEMBL3304528

SCHEMBL3304528

O=C(O)c1cccc(CN2C(=O)CCc3cc(-c4ccc(C(F)(F)F)cc4)ccc32)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 1/20 0.49
PRKAA1 Q13131 1/20 0.49
PRKAB1 Q9Y478 1/20 0.49
MRGPRX4 Q96LA9 4/20 0.47
ALDH1A1 P00352 1/20 0.47
HDAC6 Q9UBN7 5/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.44
HDAC1 Q13547 4/20 0.43
HDAC8 Q9BY41 3/20 0.43
DHODH Q02127 1/20 0.42
TACR1 P25103 1/20 0.41
NR4A2 P43354 1/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL3310868 0.89 HDAC6 (0.53) HDAC6POLBHDAC1HDAC8
SCHEMBL14866043 0.88 KMT2A (0.49) MRGPRX4ALDH1A1HDAC6KMT2APOLB
SCHEMBL3308461 0.87 MAPT (0.48) PRKAG1PRKAA1PRKAB1ALDH1A1HDAC6
SCHEMBL3306413 0.79 KIF11 (0.44) ALDH1A1HDAC6KMT2AHDAC1MEN1
SCHEMBL3304979 0.79 HDAC6 (0.52) ALDH1A1HDAC6HDAC1HDAC8
SCHEMBL13330272 0.78 HSP90AA1 (0.53) ALDH1A1HDAC6POLBHDAC1HDAC8
SCHEMBL3309668 0.77 HDAC6 (0.48) HDAC6HDAC1HDAC8
SCHEMBL3311164 0.77 S1PR1 (0.46) HDAC6KMT2AHDAC1CYP2C9MEN1
SCHEMBL14866176 0.76 ACHE (0.45) HDAC6HDAC1HDAC8
SCHEMBL3315684 0.76 HDAC6 (0.44) HDAC6HDAC1DHODH

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 10 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-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-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
US-20130096122-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2013-04-18 US disclosed
WO-2010074807-A1 3, 4-DIHYDROQUINOLIN-2 ( 1H ) -ONE DERIVATIVES AS SODIUM CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-07-01 WO disclosed
US-20100113514-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-06 US disclosed
US-20100113514-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-06 US disclosed
US-20100113514-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 (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-20100113514-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNH3 PRKAG1 3281/4885PRKAA1 4022/4885PRKAB1 3608/4885
US-20130096122-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, CACNA1E PRKAG1 3256/4885PRKAA1 3889/4885PRKAB1 3601/4885

“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.