SCHEMBL4221675

SCHEMBL4221675

O=C(O)C=Cc1ccc(N[C@H]2CCN(C(=O)c3ccc(Cl)cc3)C2)nc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNK O75909 19/20 0.60
CDK12 Q9NYV4 19/20 0.60
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47
CCNA2 P20248 2/20 0.47
CDK2 P24941 2/20 0.47
CDK7 P50613 2/20 0.47
CCNH P51946 2/20 0.47
MNAT1 P51948 2/20 0.47

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
SCHEMBL4221278 1.00 CCNK (0.60) CCNKCDK12NOS3NOS1NOS2
SCHEMBL4215277 1.00 CCNK (0.60) CCNKCDK12NOS3NOS1NOS2
SCHEMBL4221276 1.00 CCNK (0.60) CCNKCDK12NOS3NOS1NOS2
SCHEMBL4217177 0.94 CCNK (0.54) CCNKCDK12CCNA2CDK2CDK7
SCHEMBL4217185 0.94 CCNK (0.54) CCNKCDK12CCNA2CDK2CDK7
SCHEMBL4218980 0.94 NOS3 (0.53) CCNKCDK12NOS3NOS1NOS2
SCHEMBL4218987 0.94 NOS3 (0.53) CCNKCDK12NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL4227298 0.89 CCNK (0.60) CCNKCDK12CCNA2CDK2CDK7
Hydrochloric Acid SCHEMBL4221788 0.89 CCNK (0.60) CCNKCDK12CCNA2CDK2CDK7
Hydrochloric Acid SCHEMBL4221781 0.89 CCNK (0.60) CCNKCDK12CCNA2CDK2CDK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557127-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2009-07-07 US disclosed
US-20090054464-A1 HDAC INHIBITOR ASTELLAS PHARMA INC. (JP) 2009-02-26 US disclosed
US-7465731-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2008-12-16 US disclosed
EP-1776357-A1 HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) Astellas Pharma Inc. (JP) 2007-04-25 EP disclosed
US-20060052599-A1 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2006-03-09 US disclosed
WO-2006016680-A1 HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) ASTELLAS PHARMA INC. (JP) 2006-02-16 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 (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-20060052599-A1 HDAC inhibitor HDAC1, HDAC2, HDAC11 CCNK 1593/4885CDK12 2055/4885NOS3 4122/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 CCNK 1565/4885CDK12 1720/4885NOS3 4184/4885

“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.