SCHEMBL4209159

SCHEMBL4209159

O=C(O)/C=C/c1cccc(C(=O)Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.59
HDAC3 O15379 3/20 0.57
HDAC1 Q13547 3/20 0.57
HDAC4 P56524 2/20 0.57
HDAC7 Q8WUI4 2/20 0.57
HDAC2 Q92769 2/20 0.57
HDAC10 Q969S8 2/20 0.57
HDAC11 Q96DB2 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
HDAC9 Q9UKV0 2/20 0.57
HDAC5 Q9UQL6 2/20 0.57
TNKS O95271 1/20 0.57
HCAR2 Q8TDS4 1/20 0.57
TNKS2 Q9H2K2 1/20 0.57
PKM P14618 2/20 0.56
MAOB P27338 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 3/20 0.50

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
SCHEMBL4209161 1.00 NPSR1 (0.59) NPSR1HDAC3HDAC1HDAC4HDAC7
SCHEMBL29055882 0.87 TTR (0.55) HDAC3HDAC1MAOBALDH1A1P4HB
SCHEMBL69236 0.85 P4HB (0.66) NPSR1HDAC3HDAC1HDAC4HDAC7
SCHEMBL69237 0.85 P4HB (0.66) NPSR1HDAC3HDAC1HDAC4HDAC7
SCHEMBL271386 0.82 NPSR1 (0.74) NPSR1HDAC3HDAC1HDAC4HDAC7
SCHEMBL69146 0.82 NPSR1 (0.74) NPSR1HDAC3HDAC1HDAC4HDAC7
SCHEMBL7496023 0.82 PKM (0.60) NPSR1HDAC3HDAC1HDAC4HDAC7
SCHEMBL6170653 0.82 NPSR1 (0.64) NPSR1HDAC3HDAC1HDAC4HDAC7
SCHEMBL3107546 0.82 PTGS2 (0.63) NPSR1HDAC3HDAC1HDAC4HDAC7
SCHEMBL6170656 0.82 NPSR1 (0.64) NPSR1HDAC3HDAC1HDAC4HDAC7

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-8563741-B2 CDK inhibitors containing a zinc binding moiety CURIS, INC. (US) 2013-10-22 US disclosed
US-20090093507-A1 CDK INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2009-04-09 US disclosed
WO-2009036016-A1 CDK INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2009-03-19 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-20090093507-A1 CDK INHIBITORS CONTAINING A ZINC BINDING MOIETY CDK3, CDKL1, CDKL3 NPSR1 4491/4885HDAC3 36/4885HDAC1 11/4885

“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.