SCHEMBL3315684

SCHEMBL3315684

NC(=O)CN1C(=O)CCc2cc(-c3ccc(C(F)(F)F)cc3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.44
HDAC1 Q13547 1/20 0.44
KIF11 P52732 4/20 0.43
MAPT P10636 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
SCN9A Q15858 3/20 0.41
ATAD2 Q6PL18 1/20 0.41
ATM Q13315 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
TP53 P04637 1/20 0.40
TDP2 O95551 1/20 0.40
NOTUM Q6P988 1/20 0.40
DHODH Q02127 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
SCHEMBL3306413 0.89 KIF11 (0.44) HDAC6HDAC1KIF11MAPTCYP1A2
SCHEMBL3310395 0.88 KIF11 (0.43) HDAC6HDAC1KIF11MAPTCYP1A2
SCHEMBL3309131 0.86 MAPT (0.58) MAPTCYP1A2CYP11B1CYP11B2ATAD2
SCHEMBL3310353 0.85 LMNA (0.44) HDAC6HDAC1MAPTCYP1A2CYP11B1
SCHEMBL30394685 0.85 KIF11 (0.41) HDAC6HDAC1KIF11MAPTCYP1A2
SCHEMBL4596531 0.85 GRIN1 (0.46) HDAC6HDAC1KIF11MAPTCYP1A2
SCHEMBL3306832 0.83 MET (0.47) HDAC6HDAC1KIF11MAPTCYP1A2
SCHEMBL3309660 0.82 KIF11 (0.45) HDAC6HDAC1KIF11MAPTCYP1A2
SCHEMBL13273166 0.82 CYP11B2 (0.60) HDAC6HDAC1KIF11CYP1A2CYP11B1
SCHEMBL3311164 0.82 S1PR1 (0.46) HDAC6HDAC1KIF11MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 295/4885KIF11 3077/4885
US-20130096122-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, CACNA1E HDAC6 622/4885HDAC1 265/4885KIF11 3305/4885

“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.