SCHEMBL3947598

SCHEMBL3947598

Nc1nc2ccc(NC(=O)c3ccc(OC(F)(F)F)cc3)cc2s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.62
RAB9A P51151 7/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
LMNA P02545 2/20 0.62
GMNN O75496 1/20 0.62
USP2 O75604 1/20 0.62
TP53 P04637 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
ADORA3 P0DMS8 1/20 0.62
GAA P10253 1/20 0.62
CYP2C9 P11712 1/20 0.62
PKM P14618 1/20 0.62
ALOX15 P16050 1/20 0.62
NFKB1 P19838 1/20 0.62
SLC6A2 P23975 1/20 0.62
SCN4A P35499 1/20 0.62
BLM P54132 1/20 0.62
PMP22 Q01453 1/20 0.62
SLC6A3 Q01959 1/20 0.62

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
SCHEMBL9722815 0.81 EPHX2 (0.77) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL9722817 0.81 RAB9A (0.65) NPC1RAB9ASMN1; SMN2LMNAUSP2
SCHEMBL9722750 0.81 NPC1 (0.76) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL15271195 0.80 SCD (0.74) NPC1RAB9ASMN1; SMN2LMNAGMNN
SCHEMBL5786138 0.79 TRPV1 (0.71) NPC1RAB9ASMN1; SMN2LMNAMAPK1
Riluzole SCHEMBL29359189 0.78 RAB9A (1.00) NPC1RAB9ASMN1; SMN2LMNAGMNN
Riluzole SCHEMBL78905 0.78 RAB9A (1.00) NPC1RAB9ASMN1; SMN2LMNAGMNN
Riluzole SCHEMBL8913448 0.78 RAB9A (1.00) NPC1RAB9ASMN1; SMN2LMNAGMNN
Riluzole SCHEMBL5053829 0.78 RAB9A (1.00) NPC1RAB9ASMN1; SMN2LMNAGMNN
Riluzole SCHEMBL4443848 0.77 RAB9A (0.82) NPC1RAB9ASMN1; SMN2LMNAGMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514460-B2 Benzazole analogues and uses thereof 4SC AG (DE) 2009-04-07 US disclosed
EP-1674467-A1 2,5- and 2,6-disubstituted benzazole derivatives useful as protein kinase inhibitors 4SC AG (DE) 2006-06-28 EP disclosed
US-20060135782-A1 Benzazole analogues and uses thereof 4SC AG (DE) 2006-06-22 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 (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-20060135782-A1 Benzazole analogues and uses thereof DCK, SBK3, DAPK3 NPC1 4134/4885RAB9A 2582/4885SMN1; SMN2 4580/4885

“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.