SCHEMBL3788684

SCHEMBL3788684

CC(=O)NC(C(=O)NCc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1)C(C)O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
TRPV3 Q8NET8 1/20 0.33
ERN1 O75460 1/20 0.32
NTRK1 P04629 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 1/20 0.30
PIK3C3 Q8NEB9 1/20 0.30
PI4KB Q9UBF8 1/20 0.30

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
SCHEMBL3790052 0.94 MALT1 (0.41) MALT1TRPV1ERN1MEN1KMT2A
SCHEMBL13228824 0.94 MALT1 (0.41) MALT1TRPV1ERN1MEN1KMT2A
SCHEMBL3786856 0.91 TRPV1 (0.35) MALT1TRPV1ERN1NTRK1ADORA3
SCHEMBL13228773 0.87 CNR2 (0.35) TRPV1ERN1NTRK1
SCHEMBL3792587 0.87 TRPV1 (0.33) TRPV1ERN1NTRK1ADORA3ADORA2A
SCHEMBL3795165 0.84 TRPV1 (0.36) TRPV1ERN1NTRK1
SCHEMBL3787667 0.84 CTSS (0.41)
SCHEMBL3792754 0.84 FNTA (0.37) TRPV1ERN1KMT2A
SCHEMBL13228768 0.83 CIT (0.36) TRPV1ERN1
SCHEMBL3786805 0.82 ERN1 (0.35) TRPV1ERN1ADORA3ADORA2AADORA2B

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-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US claimed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 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-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections OAT, HAVCR2, CPS1 MALT1 3155/4885TRPV1 1682/4885TRPV3 2182/4885

“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.