SCHEMBL3358636

SCHEMBL3358636

Cc1nc2cc(C#N)ccn2c1-c1csc(C2(c3ccc(C(=O)NO)cc3)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC8 Q9BY41 3/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
AKT1 P31749 2/20 0.36
AKT2 P31751 2/20 0.36
SYK P43405 1/20 0.35
KDM4E B2RXH2 5/20 0.35
MAPT P10636 5/20 0.35
LMNA P02545 4/20 0.35
ALDH1A1 P00352 4/20 0.35
NPSR1 Q6W5P4 3/20 0.35
GAA P10253 3/20 0.35
HTT P42858 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL3352823 0.97 AKT1 (0.37) HDAC6HDAC1HDAC8HDAC4HDAC7
SCHEMBL197259 0.94 KCNH2 (0.38) HDAC6HDAC1HDAC8HDAC4HDAC7
SCHEMBL3348353 0.89 HDAC1 (0.44) HDAC1HDAC8AKT1AKT2BACE1
SCHEMBL3356988 0.88 AKT1 (0.42) HDAC6HDAC1HDAC8HDAC4HDAC7
SCHEMBL3351719 0.86 AKT1 (0.42) HDAC6HDAC1HDAC8HDAC4HDAC7
SCHEMBL3351660 0.86 HDAC1 (0.39) HDAC6HDAC1HDAC8HDAC4HDAC7
SCHEMBL3357980 0.86 HDAC1 (0.43) HDAC1HDAC8AKT1AKT2BACE1
SCHEMBL3354088 0.85 HDAC6 (0.36) HDAC6HDAC1HDAC8HDAC4HDAC7
SCHEMBL197109 0.85 CDK2 (0.47) HDAC6HDAC1HDAC8HDAC4HDAC7
SCHEMBL3356136 0.84 AKT1 (0.43) HDAC6HDAC1HDAC8HDAC4HDAC7

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-8198299-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-06-12 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 (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-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 HDAC6 7/4885HDAC1 1/4885HDAC8 8/4885

“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.