SCHEMBL3165652

SCHEMBL3165652

CC(C)(C)CC(=O)Nc1nc2c(s1)CCCC2C(=O)N1CCN(CC=Cc2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.42
KDM4E B2RXH2 3/20 0.42
CHRM3 P20309 2/20 0.42
LMNA P02545 6/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP2C19 P33261 1/20 0.41
HTT P42858 3/20 0.41
PKM P14618 1/20 0.41
GAA P10253 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 1/20 0.40
USP2 O75604 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
SCHEMBL3165649 1.00 SMN1; SMN2 (0.42) SMN1; SMN2KDM4ECHRM3LMNAALDH1A1
SCHEMBL3157596 0.87 ALDH1A1 (0.45) SMN1; SMN2KDM4ELMNAALDH1A1PKM
SCHEMBL3167442 0.78 MAPT (0.47) SMN1; SMN2KDM4ELMNAALDH1A1HTT
SCHEMBL3164126 0.76 KDM4E (0.46) SMN1; SMN2KDM4ELMNAALDH1A1CYP2C19
SCHEMBL3166045 0.72 RAB9A (0.53) SMN1; SMN2KDM4ELMNAALDH1A1HTT
SCHEMBL3163132 0.70 KMT2A (0.48) SMN1; SMN2KDM4ELMNAALDH1A1HTT
SCHEMBL3163782 0.70 RAB9A (0.51) SMN1; SMN2KDM4ELMNAALDH1A1HTT
SCHEMBL4807243 0.70 PARP1 (0.47) SMN1; SMN2LMNAALDH1A1HTTGAA
SCHEMBL3157325 0.70 RORC (0.41) SMN1; SMN2LMNAGAAL3MBTL1MAPK1
SCHEMBL3162800 0.69 XIAP (0.45) ALDH1A1

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
EP-1716128-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2010-03-31 EP claimed
US-7348347-B2 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2008-03-25 US claimed
JP-2007522171-A 2007-08-09 JP claimed
US-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2007-02-01 US claimed
EP-1716128-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2006-11-02 EP claimed
WO-2005077924-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2005-08-25 WO claimed
EP-1716128-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2010-03-31 EP disclosed
US-7348347-B2 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2008-03-25 US disclosed
US-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2007-02-01 US disclosed
EP-1716128-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2006-11-02 EP disclosed
WO-2005077924-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2005-08-25 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-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds TPH2, HTR6, TPH1 SMN1; SMN2 1583/4885KDM4E 1046/4885CHRM3 669/4885

“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.