SCHEMBL1300993

SCHEMBL1300993

O=c1sc2ccc(C(F)(F)F)cc2n1Cc1cccc(-c2ncc(OCC3CCNCC3)cn2)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 2/20 0.43
▸ NQO2 P16083 1/20 0.41
▸ MAOB P27338 2/20 0.41
▸ KDM1A O60341 1/20 0.41
▸ GRIN1 Q05586 11/20 0.38
▸ GRIN2B Q13224 11/20 0.38
▸ MAOA P21397 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ EP300 Q09472 1/20 0.37
▸ ALOX5AP P20292 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ CHRM3 P20309 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
SCHEMBL1300844 0.90 MET (0.51) METNQO2MAOBGRIN1GRIN2B
SCHEMBL1301165 0.85 MET (0.45) METNQO2MAOBMAOAACHE
SCHEMBL13285510 0.85 MET (0.45) METNQO2MAOBMAOAACHE
SCHEMBL1301051 0.81 GRIN1 (0.41) GRIN1GRIN2B
SCHEMBL1302048 0.81 GRIN1 (0.41) GRIN1GRIN2B
SCHEMBL1301035 0.80 MET (0.52) METGRIN1GRIN2B
SCHEMBL1300839 0.79 MET (0.50) METGRIN1GRIN2BCNR2
SCHEMBL22310734 0.74 MET (0.43) METNQO2MAOBKDM1AMAOA
SCHEMBL22310322 0.74 MET (0.39) METNQO2MAOBKDM1AACHE
SCHEMBL22310732 0.73 MET (0.52) METNQO2MAOBKDM1A

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 3/4885NQO2 1035/4885MAOB 2317/4885

“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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