SCHEMBL3308796

SCHEMBL3308796

Cc1cc(CN2C(=O)CCc3cc(-c4ccc(OC(F)(F)F)cc4)ccc32)no1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.46
HDAC1 Q13547 3/20 0.46
MAPT P10636 2/20 0.44
S1PR1 P21453 1/20 0.41
RECQL P46063 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
NMT1 P30419 1/20 0.39
CHRM5 P08912 2/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
SCN5A Q14524 2/20 0.38
BRD4 O60885 2/20 0.38
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL3307704 0.77 MAPT (0.53) MAPTS1PR1CYP1A2CYP11B1CYP11B2
SCHEMBL3315683 0.77 CYP11B1 (0.54) HDAC6MAPTCYP1A2CYP11B1CYP11B2
SCHEMBL3310423 0.76 MAPT (0.50) MAPTS1PR1CYP1A2CYP11B1CYP11B2
SCHEMBL3308443 0.76 MAPT (0.59) MAPTS1PR1CYP1A2CYP11B1CYP11B2
SCHEMBL3309131 0.75 MAPT (0.58) MAPTS1PR1CYP1A2CYP11B1CYP11B2
SCHEMBL2056195 0.75 CHRM5 (0.51) HDAC6HDAC1MAPTCHRM5HDAC8
SCHEMBL13717373 0.72 GPR139 (0.45) SCN5ASCN1ASCN2A
SCHEMBL2097565 0.71 CHRM5 (0.52) HDAC6HDAC1MAPTCHRM5HDAC8
SCHEMBL253359 0.71 SCN5A (0.70) SCN5ASCN1ASCN2A
SCHEMBL13330272 0.68 HSP90AA1 (0.53) HDAC6HDAC1MAPTCYP1A2CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664379-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-03-04 US claimed
US-20130096122-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2013-04-18 US claimed
WO-2010074807-A1 3, 4-DIHYDROQUINOLIN-2 ( 1H ) -ONE DERIVATIVES AS SODIUM CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-07-01 WO claimed
US-20100113514-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-06 US claimed
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
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

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 HDAC6 584/4885HDAC1 295/4885MAPT 3423/4885
US-20130096122-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, CACNA1E HDAC6 622/4885HDAC1 265/4885MAPT 3659/4885

“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.