SCHEMBL3790052

SCHEMBL3790052

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.41
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TRPV1 Q8NER1 1/20 0.34
ERN1 O75460 1/20 0.33
MMP13 P45452 2/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
PIK3CA P42336 2/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
PIK3C3 Q8NEB9 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
CSGALNACT1 Q8TDX6 1/20 0.31
CYP3A4 P08684 1/20 0.30
PKM P14618 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
ALDH1A1 P00352 2/20 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
SCHEMBL13228824 1.00 MALT1 (0.41) MALT1MEN1KMT2ATRPV1ERN1
SCHEMBL3788684 0.94 MALT1 (0.35) MALT1MEN1KMT2ATRPV1ERN1
SCHEMBL3786856 0.91 TRPV1 (0.35) MALT1TRPV1ERN1ADORA3ADORA2A
SCHEMBL13228773 0.88 CNR2 (0.35) TRPV1ERN1CYP3A4ALDH1A1
SCHEMBL3792587 0.88 TRPV1 (0.33) TRPV1ERN1ADORA3ADORA2AADORA2B
SCHEMBL3795165 0.85 TRPV1 (0.36) TRPV1ERN1PKMRXFP1ALDH1A1
SCHEMBL3792754 0.84 FNTA (0.37) KMT2ATRPV1ERN1ALDH1A1USP2
SCHEMBL3787667 0.84 CTSS (0.41) CYP3A4ALDH1A1
SCHEMBL13228768 0.83 CIT (0.36) TRPV1ERN1CYP3A4
SCHEMBL3786805 0.83 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 3155/4885MEN1 4257/4885KMT2A 3145/4885

“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.