SCHEMBL3308993

SCHEMBL3308993

O=C1CCc2ccc(-c3c(F)cc(F)cc3F)cc2N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.53
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPC1 O15118 1/20 0.46
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
KIF11 P52732 1/20 0.46
SRD5A1 P18405 3/20 0.42
MAOB P27338 5/20 0.42
MAOA P21397 4/20 0.42
CRBN Q96SW2 2/20 0.42
TDP2 O95551 1/20 0.40
TRPV1 Q8NER1 2/20 0.40
AOC3 Q16853 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL4102521 0.80 CA9 (0.62) CA9KDM4ELMNAKMT2ASMN1; SMN2
SCHEMBL29754281 0.80 CA9 (0.62) CA9KDM4ELMNAKMT2ASMN1; SMN2
SCHEMBL17236523 0.77 CA9 (0.48) CA9KDM4ELMNAKMT2ASMN1; SMN2
SCHEMBL3307653 0.75 KIF11 (0.78) CA9NPC1MAPK13MAPK12MAPK11
SCHEMBL19186848 0.74 CA9 (0.56) CA9KMT2ASMN1; SMN2NPC1MAPK13
SCHEMBL4901465 0.73 KIF11 (0.66) KMT2ASMN1; SMN2NPC1MAPK13MAPK12
SCHEMBL4104017 0.72 CA9 (0.52) CA9KDM4ELMNAKMT2ASMN1; SMN2
SCHEMBL3309739 0.72 TDP2 (0.60) SMN1; SMN2NPC1MAPK13MAPK12MAPK11
SCHEMBL7505614 0.71 MAPT (0.59) CA9KDM4ELMNAKMT2ASMN1; SMN2
SCHEMBL3312587 0.71 KIF11 (0.72) KDM4ELMNAKMT2ASMN1; SMN2NPC1

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
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 CA9 3215/4885KDM4E 2337/4885LMNA 2206/4885
US-20130096122-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, CACNA1E CA9 2950/4885KDM4E 2472/4885LMNA 2017/4885

“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.