SCHEMBL3433181

SCHEMBL3433181

CC(F)(F)CNC(=O)c1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.62
RAB9A P51151 2/20 0.59
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
TRPA1 O75762 1/20 0.54
PLOD2 O00469 1/20 0.54
PLOD3 O60568 1/20 0.54
PLOD1 Q02809 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54
TSHR P16473 2/20 0.52
EPHX2 P34913 3/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL10202722 0.88 THRB (0.59) THRBRAB9AMEN1KMT2ACYP1A2
SCHEMBL29549978 0.88 THRB (0.66) THRBRAB9AMEN1KMT2ACYP1A2
SCHEMBL1116605 0.88 THRB (0.66) THRBRAB9AMEN1KMT2ACYP1A2
SCHEMBL15557449 0.88 THRB (0.66) THRBRAB9AMEN1KMT2ACYP1A2
SCHEMBL17499897 0.86 THRB (0.64) THRBRAB9AMEN1KMT2ACYP1A2
SCHEMBL12945106 0.85 THRB (0.59) THRBRAB9AMEN1KMT2ACYP1A2
SCHEMBL16215616 0.85 THRB (0.62) THRBRAB9AMEN1KMT2ACYP1A2
SCHEMBL6790267 0.85 THRB (0.62) THRBRAB9AMEN1KMT2ACYP1A2
SCHEMBL10263529 0.85 THRB (0.55) THRBRAB9AMEN1KMT2ACYP1A2
SCHEMBL10896981 0.82 THRB (0.59) THRBRAB9AMEN1KMT2ACYP1A2

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 5 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-20140303158-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2014-10-09 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 (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-20140303158-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNA3 THRB 3164/4885RAB9A 1595/4885MEN1 1152/4885

“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.