SCHEMBL656858

SCHEMBL656858

COCCNC(=O)c1ccc2nc(C)c(-c3ccnc(C4(c5ccc(C(=O)Nc6ccccc6N)cc5)CC4)n3)n2c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.53
AKT1 P31749 4/20 0.47
AKT2 P31751 4/20 0.47
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HDAC3 O15379 1/20 0.40

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
SCHEMBL657269 0.90 HDAC1 (0.51) HDAC1AKT1AKT2HDAC3
SCHEMBL655483 0.90 HDAC1 (0.54) HDAC1HDAC3
SCHEMBL658165 0.88 HDAC1 (0.50) HDAC1KDM4EALDH1A1GLAGAA
SCHEMBL657662 0.88 HDAC1 (0.55) HDAC1HDAC3
SCHEMBL658761 0.88 AKT1 (0.47) HDAC1AKT1AKT2KDM4EALDH1A1
SCHEMBL3353564 0.86 HDAC1 (0.56) HDAC1
SCHEMBL655630 0.86 HDAC1 (0.68) HDAC1
SCHEMBL3351914 0.86 AKT1 (0.47) HDAC1AKT1AKT2KDM4EALDH1A1
SCHEMBL3357078 0.85 HDAC1 (0.55) HDAC1HDAC3
SCHEMBL658533 0.84 HDAC1 (0.67) HDAC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198299-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-06-12 US claimed
US-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-02-23 US claimed
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-28 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 HDAC1 1/4885AKT1 1338/4885AKT2 981/4885
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 HDAC1 1/4885AKT1 1338/4885AKT2 981/4885

“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.