SCHEMBL9950347

SCHEMBL9950347

CC(Sc1cnc(NC(=O)CCCCCCC(=O)Nc2ccccc2N)s1)c1ncc(C(C)(C)C)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 11/20 0.51
HDAC1 Q13547 11/20 0.51
HDAC2 Q92769 8/20 0.51
HDAC10 Q969S8 7/20 0.51
HDAC6 Q9UBN7 7/20 0.51
HDAC4 P56524 6/20 0.51
HDAC7 Q8WUI4 6/20 0.51
HDAC11 Q96DB2 6/20 0.51
HDAC8 Q9BY41 6/20 0.51
HDAC9 Q9UKV0 6/20 0.51
HDAC5 Q9UQL6 6/20 0.51
CCND3 P30281 4/20 0.51
CDK6 Q00534 3/20 0.51
CCNE2 O96020 8/20 0.51
CCNE1 P24864 8/20 0.51
CDK2 P24941 8/20 0.51
NCOR2 Q9Y618 2/20 0.45
CDK4 P11802 4/20 0.44
CCND1 P24385 4/20 0.44
CCNB2 O95067 2/20 0.42

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
SCHEMBL3468493 0.89 HDAC3 (0.58) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL9950346 0.87 HDAC3 (0.47) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL9950303 0.86 HDAC3 (0.58) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL3467070 0.84 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL9951018 0.83 HDAC3 (0.75) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL9950049 0.83 HDAC3 (0.75) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL9950588 0.82 CCNE2 (0.76) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL9950861 0.80 CCNE2 (0.76) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL9951590 0.78 CCNE2 (0.79) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL9950457 0.76 CCNE2 (0.74) HDAC3HDAC1HDAC2HDAC10HDAC6

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-20120165335-A1 CDK INHIBITORS CURIS, INC. 2012-06-28 US disclosed
US-20120165335-A1 CDK INHIBITORS CURIS, INC. 2012-06-28 US disclosed
WO-2010075542-A1 CDK INHIBITORS CURIS, INC. (US) 2010-07-01 WO 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-20120165335-A1 CDK INHIBITORS CDK3, CDK6, CDKL1 HDAC3 560/4885HDAC1 227/4885HDAC2 477/4885

“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.