SCHEMBL2630558

SCHEMBL2630558

CCCOc1ccc(C(=O)N[C@H](COC(=O)O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
CENPE Q02224 1/20 0.40
F10 P00742 1/20 0.40
POLB P06746 2/20 0.39
PPARG P37231 2/20 0.39
AAK1 Q2M2I8 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL14050219 0.89 CENPE (0.40) HDAC1HDAC2CENPEPOLBPPARG
SCHEMBL10214857 0.88 F10 (0.41) HDAC1HDAC2HDAC6CENPEF10
SCHEMBL2617243 0.88 F10 (0.40) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL13644419 0.81 TAS1R3 (0.46) HDAC1HDAC2CENPEPOLBMEN1
SCHEMBL4774274 0.78 TAS1R3 (0.44) HDAC1HDAC2CENPEPOLBMEN1
SCHEMBL10273448 0.78 MEN1 (0.42) HDAC1HDAC2CENPEPOLBMEN1
SCHEMBL13637057 0.77 TAS1R3 (0.41) HDAC1HDAC2CENPEPOLBMEN1
SCHEMBL4773750 0.77 MAPT (0.49) CENPEPOLBMEN1KMT2ALMNA
SCHEMBL13644428 0.77 TAS1R3 (0.41) HDAC1HDAC2CENPEPOLBMEN1
SCHEMBL13644427 0.76 TAS1R3 (0.40) HDAC1HDAC2CENPEPOLBMEN1

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-8163919-B2 Imidazopyridinyl benzamide mitotic kinesin inhibitors CYTOKINETICS, INCORPORATED (US) 2012-04-24 US disclosed
US-20090306127-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC 2009-12-10 US disclosed
US-20080255182-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-10-16 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 (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-20090306127-A1 Certain Chemical Entities, Compositions and Methods KIF5B, KIF2C, PLK1 HDAC1 406/4885HDAC2 1206/4885HDAC3 812/4885
US-20080255182-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 HDAC1 484/4885HDAC2 1449/4885HDAC3 1039/4885

“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.