SCHEMBL3435142

SCHEMBL3435142

Cn1c(=O)c(C(C)(C)O)nc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.41
PPARG P37231 1/20 0.40
SCN5A Q14524 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
HPSE Q9Y251 2/20 0.39
BRD4 O60885 2/20 0.38
MCHR1 Q99705 2/20 0.37
TRPA1 O75762 1/20 0.37
DHODH Q02127 1/20 0.36
KDM5A P29375 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
ABL1 P00519 1/20 0.36
TRPV4 Q9HBA0 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
SCHEMBL3472581 0.91 TDP2 (0.42) TDP2PPARGSCN5ASMN1; SMN2TRPV1
SCHEMBL3378965 0.90 SCN5A (0.44) TDP2PPARGSCN5ASMN1; SMN2HPSE
SCHEMBL3346365 0.85 TDP2 (0.43) TDP2PPARGSCN5ASMN1; SMN2HPSE
SCHEMBL15147554 0.84 MEN1 (0.40) SMN1; SMN2
SCHEMBL13338351 0.84 PPARG (0.41) PPARGHPSEBRD4
SCHEMBL3473462 0.83 SMN1; SMN2 (0.47) TDP2PPARGSCN5ASMN1; SMN2BRD4
SCHEMBL3353025 0.83 PPARG (0.45) TDP2PPARGSCN5AHPSEDHODH
SCHEMBL3377951 0.81 MAPK14 (0.45) PPARGTRPV1TRPA1DHODHKDM5A
SCHEMBL3376728 0.81 TDP2 (0.42) TDP2PPARGSCN5ASMN1; SMN2BRD4
SCHEMBL3475090 0.81 TDP2 (0.42) TDP2PPARGSCN5ASMN1; SMN2BRD4

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 12 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-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
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 3737/4885PPARG 1545/4885SCN5A 17/4885
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 TDP2 3737/4885PPARG 1545/4885SCN5A 17/4885

“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.