SCHEMBL13015458

SCHEMBL13015458

Cn1c(=O)[nH]c2cccc(OC[C@@H]3CCCO3)c21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.48
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.43
MAPT P10636 3/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C19 P33261 1/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 2/20 0.39
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
PLAT P00750 1/20 0.39
TSHR P16473 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
SCHEMBL13954882 1.00 BRD4 (0.48) BRD4ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL11247453 0.88 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL13954934 0.82 CYP2D6 (0.46) BRD4CYP2C19
SCHEMBL22835402 0.81 PDK1 (0.44) CYP2C19
SCHEMBL22835475 0.81 PDK1 (0.44) CYP2C19
SCHEMBL13354918 0.80 ALDH1A1 (0.48) BRD4ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL13354926 0.80 ALDH1A1 (0.48) BRD4ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL13355032 0.80 ALDH1A1 (0.48) BRD4ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL16519569 0.78 MAOB (0.52) ALDH1A1KDM4EMAPTHSD17B10GRIN1
SCHEMBL22849479 0.77 EPHA2 (0.46) CYP2C19

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-8476278-B2 Thiazole Derivatives as protein kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-07-02 US disclosed
US-8476278-B2 Thiazole Derivatives as protein kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-07-02 US disclosed
US-20100331313-A1 Thiazole Derivatives as Protein Kinase Inhibitors SCHERING CORPORATION 2010-12-30 US disclosed
US-20100331313-A1 Thiazole Derivatives as Protein Kinase Inhibitors SCHERING CORPORATION 2010-12-30 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 (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-20100331313-A1 Thiazole Derivatives as Protein Kinase Inhibitors DAPK2, DAPK1, JAK1 BRD4 815/4885ALDH1A1 3404/4885KDM4E 3188/4885

“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.