SCHEMBL3786805

SCHEMBL3786805

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 3/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
ADORA2A P29274 3/20 0.33
ADORA3 P0DMS8 2/20 0.33
ADORA2B P29275 2/20 0.33
PIK3CA P42336 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
ADORA1 P30542 2/20 0.32
KDM4E B2RXH2 3/20 0.32
METTL3 Q86U44 2/20 0.31
HPGD P15428 2/20 0.31
DNM1L O00429 1/20 0.31

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
SCHEMBL3792676 0.87 MALT1 (0.37) ERN1ALDH1A1HSD17B10ADORA2AADORA3
SCHEMBL3786856 0.84 TRPV1 (0.35) ERN1ALDH1A1HSD17B10USP2CYP1A2
SCHEMBL3795049 0.84 HDAC4 (0.36) ERN1ADORA2AADORA3ADORA2BADORA1
SCHEMBL3696257 0.84 ALDH1A1 (0.40) ALDH1A1HSD17B10KDM4EHPGDGAA
SCHEMBL3703006 0.83 TP53 (0.40) ALDH1A1HPGDGAATRPV1
SCHEMBL3688716 0.83 CACNA1H (0.40) ERN1METTL3
SCHEMBL3792587 0.83 TRPV1 (0.33) ERN1ALDH1A1HSD17B10USP2CYP1A2
SCHEMBL3790052 0.83 MALT1 (0.41) ERN1ALDH1A1HSD17B10USP2CYP1A2
SCHEMBL13228824 0.83 MALT1 (0.41) ERN1ALDH1A1HSD17B10USP2CYP1A2
SCHEMBL3691436 0.83 HPGD (0.52) ALDH1A1HSD17B10KDM4EHPGDGAA

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 ERN1 237/4885ALDH1A1 1337/4885HSD17B10 1246/4885

“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.