SCHEMBL3376728

SCHEMBL3376728

CC(C)c1nc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2n(C)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.42
SCN5A Q14524 3/20 0.40
KDM5A P29375 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BRD4 O60885 4/20 0.39
ACACB O00763 1/20 0.38
MCHR1 Q99705 1/20 0.38
TRPV4 Q9HBA0 1/20 0.37
PPARG P37231 1/20 0.37
CYP3A4 P08684 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
ATP1A1 P05023 1/20 0.36
ATP1B1 P05026 1/20 0.36
ATP1A3 P13637 1/20 0.36
ATP1B2 P14415 1/20 0.36
ATP1A2 P50993 1/20 0.36
ATP1B3 P54709 1/20 0.36
FXYD2 P54710 1/20 0.36
ATP1A4 Q13733 1/20 0.36
MAOA P21397 1/20 0.36

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
SCHEMBL3379857 0.90 KDM5A (0.43) KDM5APPARG
SCHEMBL3434978 0.85 AAK1 (0.42) SCN5AKDM5ABRD4MCHR1AAK1
SCHEMBL3346475 0.85 ACACB (0.41) TDP2SCN5ASMN1; SMN2BRD4ACACB
SCHEMBL3473462 0.84 SMN1; SMN2 (0.47) TDP2SCN5ASMN1; SMN2BRD4MCHR1
SCHEMBL3474602 0.84 BRD4 (0.49) SMN1; SMN2BRD4AAK1
SCHEMBL3346365 0.83 TDP2 (0.43) TDP2SCN5ASMN1; SMN2BRD4MCHR1
SCHEMBL3378965 0.83 SCN5A (0.44) TDP2SCN5ASMN1; SMN2BRD4MCHR1
SCHEMBL3435619 0.83 TDP2 (0.40) TDP2SCN5AKDM5ASMN1; SMN2BRD4
SCHEMBL15147625 0.82 AAK1 (0.41) SMN1; SMN2BRD4AAK1
SCHEMBL3475811 0.82 GCGR (0.41) BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912190-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-12-16 US claimed
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-01 US claimed
WO-2010053757-A1 2 -OXOQUINOXALIN BLOCKERS OF THE LATE SODIUM CHANNEL GILEAD PALO ALTO, INC. (US) 2010-05-14 WO claimed
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 US claimed
US-8912190-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-12-16 US disclosed
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-01 US disclosed
WO-2010053757-A1 2 -OXOQUINOXALIN BLOCKERS OF THE LATE SODIUM CHANNEL GILEAD PALO ALTO, INC. (US) 2010-05-14 WO disclosed
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 US disclosed
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 US disclosed
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS 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-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 TDP2 3737/4885SCN5A 17/4885KDM5A 1177/4885
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 TDP2 3737/4885SCN5A 17/4885KDM5A 1177/4885

“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.