SCHEMBL4744853

SCHEMBL4744853

COC(=O)c1cncc(OC[C@@H](Cc2ccccc2Cl)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 8/20 0.41
HDAC4 P56524 8/20 0.41
HDAC1 Q13547 8/20 0.41
HDAC7 Q8WUI4 8/20 0.41
HDAC2 Q92769 8/20 0.41
HDAC10 Q969S8 8/20 0.41
HDAC11 Q96DB2 8/20 0.41
HDAC8 Q9BY41 8/20 0.41
HDAC6 Q9UBN7 8/20 0.41
HDAC9 Q9UKV0 8/20 0.41
HDAC5 Q9UQL6 8/20 0.41
AAK1 Q2M2I8 1/20 0.40
GRM5 P41594 1/20 0.38
CYP3A4 P08684 3/20 0.38
GPR132 Q9UNW8 1/20 0.38
SYK P43405 1/20 0.38
SCN9A Q15858 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
ATM Q13315 1/20 0.37
S1PR3 Q99500 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
SCHEMBL4744851 1.00 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4743594 0.85 CTSL (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4743596 0.85 CTSL (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4788516 0.84 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4788511 0.84 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4742805 0.82 GRM5 (0.40) AAK1GRM5CYP3A4SYKATM
SCHEMBL4742802 0.82 GRM5 (0.40) AAK1GRM5CYP3A4SYKATM
SCHEMBL4744855 0.81 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4742872 0.81 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4784587 0.81 CTSS (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2

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-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof WYETH (US) 2008-11-27 US disclosed
WO-2008109613-A1 BENZO[C][2,7]NAPHTHYRIDINE DERIVATIVES, AND THEIR USE AS KINASE INHIBITORS WYETH (US) 2008-09-12 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-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof PDPK1, PDK2, PDK3 HDAC3 1566/4885HDAC4 938/4885HDAC1 1351/4885

“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.