SCHEMBL3791014

SCHEMBL3791014

O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(N2CCCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 15/20 0.39
L3MBTL1 Q9Y468 15/20 0.39
MBTD1 Q05BQ5 4/20 0.37
TP53BP1 Q12888 2/20 0.37
L3MBTL4 Q8NA19 1/20 0.37
LRRK2 Q5S007 1/20 0.37
ALK Q9UM73 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL3688585 0.95 KMT2A (0.40) L3MBTL3L3MBTL1MBTD1LRRK2ALK
SCHEMBL3686553 0.89 SCN9A (0.39) L3MBTL3L3MBTL1KDM4EALDH1A1KMT2A
SCHEMBL3785019 0.89 ENPP2 (0.37) TRPV1
SCHEMBL3793710 0.89 KDM1A (0.38) TRPV1
SCHEMBL3064728 0.88 TRPV1 (0.35) TRPV1
SCHEMBL3693532 0.88 HSD11B1 (0.38) TRPV1
SCHEMBL3058447 0.88 IRAK4 (0.36) TRPV1
SCHEMBL3645737 0.87 HDAC4 (0.42) KMT2ATRPV1
SCHEMBL3694905 0.87 HDAC4 (0.42) KMT2ATRPV1
SCHEMBL13090304 0.87 RBP4 (0.35) TRPV1

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 4 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
WO-2010091409-A1 CERTAIN NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO 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 L3MBTL3 2807/4885L3MBTL1 3542/4885MBTD1 4167/4885

“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.