SCHEMBL3790994

SCHEMBL3790994

COC(=O)C(NC(=O)Cc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
ERN1 O75460 1/20 0.32
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31
NR4A2 P43354 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
SCHEMBL13228825 1.00 HDAC1 (0.34) HDAC1HDAC6ERN1CNR1CNR2
SCHEMBL3797181 0.90 THRB (0.34) HDAC1HDAC6ERN1
SCHEMBL3788865 0.90 HDAC1 (0.35) HDAC1HDAC6ERN1NR4A2
SCHEMBL3793511 0.89 HDAC1 (0.38) HDAC1HDAC6ERN1NR4A2
SCHEMBL3789098 0.87 HDAC1 (0.34) HDAC1HDAC6ERN1
SCHEMBL3792510 0.87 TAS1R3 (0.38) HDAC1HDAC6
SCHEMBL3797180 0.86 HCRTR1 (0.37)
SCHEMBL3789243 0.85 HDAC1 (0.45) HDAC1HDAC6
SCHEMBL3795001 0.85 FNTA (0.40) HDAC1HDAC6
SCHEMBL3793520 0.85 CNR2 (0.36) HDAC1HDAC6ERN1CNR1CNR2

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 claimed
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 HDAC1 936/4885HDAC6 746/4885ERN1 237/4885

“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.