SCHEMBL3789356

SCHEMBL3789356

COC(=O)C(CO)NC(=O)c1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
ULK1 O75385 2/20 0.35
CDK2 P24941 2/20 0.34
ERN1 O75460 1/20 0.33
CNR2 P34972 2/20 0.33
CNR1 P21554 1/20 0.33
HCRTR1 O43613 6/20 0.32
HCRTR2 O43614 6/20 0.32
BRAF P15056 1/20 0.32
NR4A2 P43354 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
P2RY12 Q9H244 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
SCHEMBL3792225 0.91 TAS1R3 (0.41) CNR2CNR1TAS1R3TAS1R1
SCHEMBL3787047 0.90 ERN1 (0.35) CDK2ERN1HCRTR1HCRTR2BRAF
SCHEMBL13228809 0.89 SCN9A (0.36) ERN1CNR2CNR1HCRTR1HCRTR2
SCHEMBL3793187 0.89 KMT2A (0.40) HDAC1HDAC6CNR2CNR1TAS1R3
SCHEMBL3789797 0.89 HDAC1 (0.43) HDAC1HDAC6CDK2CNR2CNR1
SCHEMBL3784891 0.88 ERN1 (0.35) HDAC1HDAC6ERN1HCRTR1HCRTR2
SCHEMBL3793511 0.87 HDAC1 (0.38) HDAC1HDAC6ULK1ERN1HCRTR1
SCHEMBL3795937 0.87 TACR3 (0.36) HDAC1HDAC6ERN1CNR2CNR1
SCHEMBL3793520 0.87 CNR2 (0.36) HDAC1HDAC6ERN1CNR2CNR1
SCHEMBL3786851 0.86 ERN1 (0.33) HDAC1HDAC6ERN1CNR2CNR1

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 HDAC1 936/4885HDAC6 746/4885ULK1 1814/4885

“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.