SCHEMBL3786102

SCHEMBL3786102

O=C(NCCc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1)Nc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.39
EPHX2 P34913 4/20 0.39
PTGS2 P35354 4/20 0.39
MAPT P10636 2/20 0.36
DDX3X O00571 3/20 0.36
CASR P41180 1/20 0.35
GOT1 P17174 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
TP53 P04637 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
EPHX1 P07099 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
AKR1C3 P42330 1/20 0.34

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
SCHEMBL3690420 0.92 RAB9A (0.39) CNR1EPHX2PTGS2MAPTDDX3X
SCHEMBL3790522 0.88 MAPT (0.41) MAPTTP53KDM4EHTT
SCHEMBL3696031 0.83 MTOR (0.46) CNR1EPHX2PTGS2ROCK2ROCK1
SCHEMBL3795152 0.82 TSHR (0.40) EPHX2TP53KDM4E
SCHEMBL13228805 0.82 KDM4E (0.45) MAPTTP53MEN1KMT2AKDM4E
SCHEMBL3708239 0.82 GLS (0.40) TP53MEN1KMT2AKDM4E
SCHEMBL13228798 0.82 SMN1; SMN2 (0.52) MAPTTP53KDM4ERAB9A
SCHEMBL3788874 0.81 METTL3 (0.39) MAPTKDM4EHTT
SCHEMBL3790494 0.81 KDM4E (0.47) EPHX2MAPTTP53KDM4E
SCHEMBL3791361 0.80 KDM4E (0.54) MAPTTP53KDM4ERAB9A

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 2 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 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 CNR1 524/4885EPHX2 1834/4885PTGS2 1003/4885

“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.