SCHEMBL3784185

SCHEMBL3784185

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

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.33
KDM4E B2RXH2 3/20 0.33
TSHR P16473 1/20 0.33
HDAC6 Q9UBN7 3/20 0.32
HDAC4 P56524 1/20 0.32
BRD4 O60885 1/20 0.32
ADORA2A P29274 2/20 0.31
ADORA1 P30542 2/20 0.31
NR4A2 P43354 1/20 0.31
ALDH1A1 P00352 2/20 0.31
ABL1 P00519 1/20 0.30
RIN1 Q13671 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
POLB P06746 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
ADORA2B P29275 1/20 0.30
TP53 P04637 1/20 0.30
HDAC1 Q13547 2/20 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
SCHEMBL3784194 0.92 ERN1 (0.35) ERN1KDM4EHDAC6HDAC4ADORA2A
SCHEMBL3790016 0.86 HIF1A (0.35) ERN1HDAC6HDAC4NR4A2ALDH1A1
SCHEMBL3795049 0.85 HDAC4 (0.36) ERN1HDAC6HDAC4ADORA2AADORA1
SCHEMBL3795152 0.84 TSHR (0.40) KDM4ETSHRHDAC4ALDH1A1TDP1
SCHEMBL3785377 0.84 ERN1 (0.35) ERN1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL3786998 0.83 HDAC4 (0.36) ERN1HDAC6HDAC4ADORA2AADORA1
SCHEMBL3788865 0.82 HDAC1 (0.35) ERN1HDAC6NR4A2ALDH1A1HDAC1
SCHEMBL13229141 0.82 ERN1 (0.38) ERN1
SCHEMBL3790970 0.82 ALDH1A1 (0.46) TSHRALDH1A1POLBTP53
SCHEMBL3793511 0.82 HDAC1 (0.38) ERN1HDAC6NR4A2HDAC1

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 ERN1 237/4885KDM4E 2131/4885TSHR 4542/4885

“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.