SCHEMBL3797200

SCHEMBL3797200

COC(=O)C(Cc1cnc[nH]1)NC(=O)Cc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.39
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
GFRA3 O60609 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
PDE5A O76074 1/20 0.35
BRD4 O60885 3/20 0.35
BRD2 P25440 1/20 0.35
SCN9A Q15858 1/20 0.35
ALOX5 P09917 1/20 0.35
HTR1D P28221 2/20 0.34
HTR2C P28335 2/20 0.34
HTR1E P28566 2/20 0.34
HTR2B P41595 2/20 0.34
HTR2A P28223 1/20 0.34
HTR3A P46098 1/20 0.34
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
PDCD1 Q15116 1/20 0.33

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
SCHEMBL3788303 0.89 PDE5A (0.40) CCR2HDAC1HDAC6GFRA3SIRT2
SCHEMBL3793511 0.86 HDAC1 (0.38) HDAC1HDAC6
SCHEMBL3789243 0.86 HDAC1 (0.45) HDAC1HDAC6
SCHEMBL3792510 0.84 TAS1R3 (0.38) HDAC1HDAC6
SCHEMBL3795001 0.84 FNTA (0.40) HDAC1HDAC6
SCHEMBL3788865 0.83 HDAC1 (0.35) HDAC1HDAC6
SCHEMBL3797181 0.82 THRB (0.34) HDAC1HDAC6
SCHEMBL13228825 0.82 HDAC1 (0.34) HDAC1HDAC6
SCHEMBL3790994 0.82 HDAC1 (0.34) HDAC1HDAC6
SCHEMBL3789098 0.81 HDAC1 (0.34) HDAC1HDAC6

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
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 CCR2 1621/4885HDAC1 936/4885HDAC6 746/4885

“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.