SCHEMBL2532211

SCHEMBL2532211

NC(=O)c1sc(-n2cnc3ccc(OCCN4CCOCC4)cc32)nc1-c1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
AURKB Q96GD4 7/20 0.46
AVPR1B P47901 6/20 0.45
FGFR1 P11362 2/20 0.44
SRC P12931 2/20 0.44
ACHE P22303 1/20 0.42
MKNK1 Q9BUB5 1/20 0.40
MCHR1 Q99705 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40

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
SCHEMBL2536136 0.96 AVPR1B (0.49) KDM4ETP53TSHRAURKBAVPR1B
SCHEMBL2532294 0.96 AVPR1B (0.47) KDM4ETP53TSHRAURKBAVPR1B
SCHEMBL2488199 0.92 HRH3 (0.44) KDM4EAVPR1BACHEMCHR1
SCHEMBL2541119 0.92 MEN1 (0.45) KDM4EMCHR1
SCHEMBL2540425 0.89 AVPR1B (0.47) AVPR1B
SCHEMBL2538280 0.89 AVPR1B (0.48) AVPR1B
SCHEMBL2516367 0.88 PLK1 (0.51) KDM4ETSHR
SCHEMBL2540395 0.88 CXCR1 (0.46) AVPR1B
SCHEMBL2543965 0.87 CXCR1 (0.44) AVPR1B
SCHEMBL2495220 0.87 IKBKE (0.49) MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US 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 KDM4E 3163/4885TP53 2126/4885TSHR 876/4885

“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.