SCHEMBL4249453

SCHEMBL4249453

Cn1c(CO)nc2ccc(C=O)cc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.46
CYP2A6 P11509 2/20 0.44
RHEB Q15382 1/20 0.41
HDAC6 Q9UBN7 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37
RECQL P46063 1/20 0.36
POLB P06746 1/20 0.36
PPARG P37231 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL4248945 0.78 KDM4E (0.50) HDAC1CYP2A6ALDH1A1HPGDLMNA
SCHEMBL23638515 0.78 RAB9A (0.49) RHEBNPSR1ALDH1A1KDM4EPPARG
SCHEMBL27479497 0.77 MCHR1 (0.42) HDAC1CYP2A6ALDH1A1LMNAKDM4E
SCHEMBL4246003 0.77 POLB (0.50) NPSR1ALDH1A1HPGDLMNAKDM4E
SCHEMBL31347018 0.76 CYP2A6 (0.47) HDAC1CYP2A6ALDH1A1HPGDKDM4E
SCHEMBL30698370 0.76 MAPT (0.45) HDAC1RHEBHDAC6NPSR1ALDH1A1
SCHEMBL4777935 0.76 MAPT (0.45) HDAC1RHEBHDAC6NPSR1ALDH1A1
SCHEMBL3487680 0.76 CYP11B1 (0.47) RHEBPPARG
SCHEMBL29281094 0.76 LGALS8 (0.55) PPARG
SCHEMBL4240671 0.74 CYP2A6 (0.45) HDAC1CYP2A6NPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-02-19 US disclosed
EP-1993536-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-11-26 EP disclosed
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 US disclosed
WO-2007103755-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-13 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-20070249599-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 HDAC1 2582/4885CYP2A6 4715/4885RHEB 899/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA HDAC1 1247/4885CYP2A6 2730/4885RHEB 2747/4885

“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.