SCHEMBL2516367

SCHEMBL2516367

NC(=O)c1sc(-n2cnc3ccc(OCC(O)CN4CCOCC4)cc32)nc1-c1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.51
PLK3 Q9H4B4 2/20 0.51
L3MBTL1 Q9Y468 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 3/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43
PKM P14618 1/20 0.42
ABCB1 P08183 4/20 0.42
PRMT5 O14744 3/20 0.42
WDR77 Q9BQA1 3/20 0.42
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL2489013 0.92 PLK1 (0.52) PLK1PLK3PRMT5WDR77
SCHEMBL2532211 0.88 KDM4E (0.49) KDM4ETSHR
SCHEMBL2536136 0.88 AVPR1B (0.49) KDM4ETSHR
SCHEMBL2532294 0.87 AVPR1B (0.47) SMN1; SMN2KDM4ETSHR
SCHEMBL2490863 0.84 JAK2 (0.46) PLK1PLK3L3MBTL1SMN1; SMN2MAPK1
SCHEMBL2491218 0.81 PLK1 (0.44) PLK1PLK3
SCHEMBL2538071 0.81 PLK1 (0.43) PLK1PLK3
SCHEMBL2488199 0.81 HRH3 (0.44) PLK1PLK3KDM4EPOLB
SCHEMBL2540425 0.81 AVPR1B (0.47) PLK1PLK3
SCHEMBL2539260 0.81 PLK1 (0.42) PLK1PLK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379543-A2 THIAZOLYL-BENZIMIDAZOLES F. Hoffmann-La Roche AG (CH) 2011-10-26 EP claimed
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US claimed
WO-2010121675-A2 THIAZOLYL-BENZIMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO claimed
US-20100160308-A1 Thiazolyl-Benzimidazoles CAI JIANPING 2010-06-24 US claimed
EP-2379543-A2 THIAZOLYL-BENZIMIDAZOLES F. Hoffmann-La Roche AG (CH) 2011-10-26 EP disclosed
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US disclosed
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US disclosed
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US disclosed
WO-2010121675-A2 THIAZOLYL-BENZIMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
US-20100160308-A1 Thiazolyl-Benzimidazoles CAI JIANPING 2010-06-24 US disclosed
US-20100160308-A1 Thiazolyl-Benzimidazoles CAI JIANPING 2010-06-24 US disclosed
US-20100160308-A1 Thiazolyl-Benzimidazoles CAI JIANPING 2010-06-24 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-20100160308-A1 Thiazolyl-Benzimidazoles CYP3A7, CYP2C19, CYP3A5 PLK1 2782/4885PLK3 1584/4885L3MBTL1 3839/4885

“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.