SCHEMBL3167129

SCHEMBL3167129

O=C(Cc1cccs1)Nc1nc2c(s1)CCCC2C(=O)N1CCCC1CN1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.55
SMN1; SMN2 Q16637 8/20 0.55
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
HTT P42858 5/20 0.55
LMNA P02545 5/20 0.55
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
HSD17B10 Q99714 5/20 0.55
TP53 P04637 1/20 0.55
NFKB1 P19838 1/20 0.55
PTBP1 P26599 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.43
TSHR P16473 1/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43

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
SCHEMBL3164398 0.83 HRH3 (0.38) ALDH1A1LMNAMAPTHRH3
SCHEMBL3166107 0.81 SMN1; SMN2 (0.65) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL4798579 0.81 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL4801764 0.79 HRH3 (0.45) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL3172650 0.78 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL3260066 0.77 HRH3 (0.44) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL3162473 0.77 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL3166113 0.76 LMNA (0.53) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL4806791 0.75 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL3163040 0.74 HRH3 (0.43) HRH3

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 ALDH1A1 963/4885SMN1; SMN2 1583/4885NPC1 2506/4885

“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.