SCHEMBL4806056

SCHEMBL4806056

CCOC(=O)C1CCCc2sc(NC(=O)CC3CCCCC3)nc21

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 2/20 0.45
CSNK1D P48730 1/20 0.43
ALDH1A1 P00352 6/20 0.41
CA2 P00918 1/20 0.41
EPHX2 P34913 2/20 0.40
GLS O94925 2/20 0.39
HPGD P15428 2/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPY5R Q15761 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
SCHEMBL4806109 0.86 NPC1 (0.46) PARP1SMN1; SMN2NPC1RAB9AGAA
SCHEMBL3163907 0.85 NPC1 (0.50) PARP1SMN1; SMN2NPC1RAB9AGAA
SCHEMBL4807243 0.84 PARP1 (0.47) PARP1SMN1; SMN2NPC1RAB9AGAA
SCHEMBL3163990 0.84 NPC1 (0.44) PARP1SMN1; SMN2NPC1RAB9AGAA
SCHEMBL999312 0.83 PARP1 (0.42) PARP1SMN1; SMN2NPC1RAB9AGAA
SCHEMBL3539844 0.82 PARP1 (0.44) PARP1SMN1; SMN2NPC1RAB9AGAA
SCHEMBL13314787 0.82 PARP1 (0.44) PARP1SMN1; SMN2NPC1RAB9AGAA
Formic Acid SCHEMBL4806116 0.82 NPC1 (0.47) SMN1; SMN2NPC1RAB9AGAAMEN1
Bromide SCHEMBL3536459 0.81 PARP1 (0.43) PARP1SMN1; SMN2NPC1RAB9AGAA
SCHEMBL3163911 0.78 NPC1 (0.47) SMN1; SMN2NPC1RAB9AGAAMEN1

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 7 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 disclosed
US-7348347-B2 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2008-03-25 US disclosed
US-7348347-B2 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2008-03-25 US 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
US-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2007-02-01 US disclosed
US-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2007-02-01 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-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds TPH2, HTR6, TPH1 PARP1 2387/4885SMN1; 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.