SCHEMBL3352579

SCHEMBL3352579

Cc1nc2ccccn2c1-c1nc(C2(c3cccc(C(=O)Nc4ccccc4N)c3)CC2)sc1C

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.49
HDAC3 O15379 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
IGF1R P08069 1/20 0.38
LMNA P02545 1/20 0.38
HDAC2 Q92769 1/20 0.36
CDK4 P11802 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36

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
SCHEMBL3353718 0.92 HDAC1 (0.52) HDAC1CDK4CCNE1CDK2
SCHEMBL3352620 0.89 HDAC1 (0.51) HDAC1CDK4CCNE1CDK2
SCHEMBL3352141 0.88 AKT1 (0.39) HDAC1HDAC7HDAC9HDAC5LMNA
SCHEMBL199437 0.87 HDAC1 (0.49) HDAC1HDAC3HDAC7HDAC9HDAC5
SCHEMBL3355157 0.87 HDAC1 (0.48) HDAC1HDAC3HDAC7HDAC9HDAC5
SCHEMBL1919296 0.86 HDAC1 (0.53) HDAC1HDAC3HDAC7HDAC9HDAC5
SCHEMBL3349942 0.82 HDAC1 (0.62) HDAC1IGF1RCDK4CCNE1CDK2
SCHEMBL3348291 0.79 AKT1 (0.38) HDAC1LMNACDK4CCNE1CDK2
SCHEMBL3357410 0.78 HDAC1 (0.51) HDAC1HDAC2
SCHEMBL196976 0.77 HDAC1 (0.56) HDAC1HDAC3LMNAHDAC2CDK4

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 HDAC1 1/4885HDAC3 4/4885HDAC7 9/4885

“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.