SCHEMBL3433728

SCHEMBL3433728

CC(F)(F)CNC(=O)NC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
KDM4C Q9H3R0 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNA1C Q13936 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
EPHX2 P34913 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.33
EPHX1 P07099 2/20 0.32
HTT P42858 1/20 0.32
PGK1 P00558 1/20 0.31

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
SCHEMBL7764214 0.86 NPC1 (0.42) NPC1RAB9AMAPTSMN1; SMN2KDM4C
SCHEMBL2733557 0.81 NPC1 (0.44) NPC1RAB9AMAPTSMN1; SMN2KDM4C
SCHEMBL10263766 0.81 NPC1 (0.39) NPC1RAB9AMAPTSMN1; SMN2KDM4C
SCHEMBL19171338 0.75 NPC1 (0.57) NPC1RAB9AMAPTSMN1; SMN2KDM4C
SCHEMBL6729565 0.73
SCHEMBL14970370 0.73
SCHEMBL969173 0.73 NPC1 (0.46) NPC1RAB9AMAPTSMN1; SMN2KDM4C
SCHEMBL6729569 0.73
SCHEMBL15341360 0.73 NPC1 (0.46) NPC1RAB9AMAPTSMN1; SMN2KDM4C
SCHEMBL20017302 0.73 NPC1 (0.55) NPC1RAB9AMAPTSMN1; SMN2KDM4C

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
EP-2464645-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2017-07-05 EP disclosed
US-9371329-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2016-06-21 US disclosed
US-9079901-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-07-14 US disclosed
US-20150080370-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2015-03-19 US disclosed
US-8952034-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-02-10 US disclosed
US-20140303158-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2014-10-09 US disclosed
US-8754103-B2 2014-06-17 US disclosed
US-8703759-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-04-22 US disclosed
WO-2012003392-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2012-01-05 WO 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-20150080370-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, CACNA1E NPC1 903/4885RAB9A 1114/4885MAPT 4213/4885
US-20140303158-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNA3 NPC1 1293/4885RAB9A 1595/4885MAPT 4421/4885

“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.