SCHEMBL1301035

SCHEMBL1301035

CN(C)CCCOc1cnc(-c2cccc(Cn3c(=O)sc4ccc(C(F)(F)F)cc43)c2)nc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 7/20 0.52
▸ GRIN1 Q05586 6/20 0.37
▸ GRIN2B Q13224 6/20 0.37
▸ CACNA1B Q00975 2/20 0.37
▸ CACNA1H O95180 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ GALR3 O60755 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
SCHEMBL12241096 0.84 MET (0.53) MET
SCHEMBL1300839 0.83 MET (0.50) METGRIN1GRIN2B
SCHEMBL1302048 0.82 GRIN1 (0.41) GRIN1GRIN2B
SCHEMBL1301051 0.82 GRIN1 (0.41) GRIN1GRIN2BTHRB
SCHEMBL1300844 0.81 MET (0.51) METGRIN1GRIN2B
SCHEMBL1300993 0.80 MET (0.43) METGRIN1GRIN2B
SCHEMBL13285510 0.78 MET (0.45) MET
SCHEMBL12241177 0.77 MET (0.51) MET
SCHEMBL3094910 0.76 MET (0.81) MET
SCHEMBL14641602 0.76 MET (0.49) METCACNA1BCACNA1HGALR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877751-B2 Benzothiazolone derivatives MERCK PATENT GMBH (DE) 2014-11-04 — — US claimed
US-20110269756-A1 BENZOTHIAZOLONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-03 — — US claimed
US-8877751-B2 Benzothiazolone derivatives MERCK PATENT GMBH (DE) 2014-11-04 — — US disclosed
US-8877751-B2 Benzothiazolone derivatives MERCK PATENT GMBH (DE) 2014-11-04 — — US disclosed
US-8877751-B2 Benzothiazolone derivatives MERCK PATENT GMBH (DE) 2014-11-04 — — US disclosed
US-20110269756-A1 BENZOTHIAZOLONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-03 — — US disclosed
US-20110269756-A1 BENZOTHIAZOLONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-03 — — US disclosed
US-20110269756-A1 BENZOTHIAZOLONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-03 — — US disclosed
EP-2373635-A1 BENZOTHIAZOLONE DERIVATIVE Merck Patent GmbH (DE) 2011-10-12 — — EP disclosed
WO-2010078905-A1 BENZOTHIAZOLONE DERIVATIVE MERCK PATENT GMBH (DE) 2010-07-15 — — WO disclosed
WO-2010078905-A1 BENZOTHIAZOLONE DERIVATIVE MERCK PATENT GMBH (DE) 2010-07-15 — — 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-20110269756-A1 BENZOTHIAZOLONE DERIVATIVES RET, JAK2, MET MET 3/4885GRIN1 1214/4885GRIN2B 2173/4885

“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.

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