SCHEMBL10263293

SCHEMBL10263293

CCC(F)(F)CNC(=O)Nc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.54
EPHX1 P07099 5/20 0.53
ALDH1A1 P00352 2/20 0.53
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.50
TP53 P04637 2/20 0.50
TSHR P16473 1/20 0.50
EPHX2 P34913 1/20 0.50
CDK9 P50750 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.49
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
POLB P06746 1/20 0.49
MAOB P27338 1/20 0.49
HPGD P15428 1/20 0.49
KDM4E B2RXH2 2/20 0.49
CASP3 P42574 1/20 0.49

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
SCHEMBL3431630 0.83 SMN1; SMN2 (0.56) CNR1EPHX1ALDH1A1HTTSMN1; SMN2
SCHEMBL557514 0.83 L3MBTL1 (0.67) CNR1EPHX1ALDH1A1HTTSMN1; SMN2
SCHEMBL5020905 0.82 SMN1; SMN2 (0.55) CNR1EPHX1ALDH1A1HTTSMN1; SMN2
SCHEMBL10202733 0.81 SMN1; SMN2 (0.54) CNR1EPHX1ALDH1A1HTTSMN1; SMN2
SCHEMBL12127864 0.80 SMN1; SMN2 (0.59) CNR1EPHX1ALDH1A1HTTSMN1; SMN2
SCHEMBL19075440 0.79 CNR1 (0.52) CNR1EPHX1ALDH1A1HTTSMN1; SMN2
SCHEMBL340246 0.77 EPHX1 (0.64) EPHX1ALDH1A1HTTSMN1; SMN2TP53
SCHEMBL10263531 0.77 PRSS1 (0.55) ALDH1A1SMN1; SMN2EPHX2RAB9ANPC1
SCHEMBL10460933 0.77 SMN1; SMN2 (0.56) CNR1EPHX1ALDH1A1HTTSMN1; SMN2
SCHEMBL9479531 0.75 CASP3 (0.69) EPHX1ALDH1A1HTTSMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators GILEAD SCIENCES, INC. 2012-01-12 US disclosed
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2011-01-27 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-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators KCNJ2, KCNH2, CACNA1E CNR1 322/4885EPHX1 2701/4885ALDH1A1 1334/4885
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNA3 CNR1 271/4885EPHX1 1119/4885ALDH1A1 2432/4885

“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.