SCHEMBL4807243

SCHEMBL4807243

CCOC(=O)C1CCCc2sc(NC(=O)CC(C)(C)C)nc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.47
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 5/20 0.38
TP53 P04637 2/20 0.38
POLB P06746 1/20 0.38
CSNK1D P48730 1/20 0.38
LMNA P02545 2/20 0.36
PDK1 Q15118 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 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
SCHEMBL3163684 0.85 MAPT (0.41) PARP1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4806056 0.84 PARP1 (0.47) PARP1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3156739 0.83 PARP1 (0.43) PARP1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3539844 0.83 PARP1 (0.44) PARP1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL13314787 0.83 PARP1 (0.44) PARP1MEN1KMT2AALDH1A1SMN1; SMN2
Bromide SCHEMBL3536459 0.82 PARP1 (0.43) PARP1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL999312 0.80 PARP1 (0.42) PARP1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3163687 0.78 MAPT (0.39) PARP1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1155494 0.78 ALDH1A1 (0.40) PARP1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL909067 0.78 ALDH1A1 (0.46) PARP1MEN1KMT2AALDH1A1SMN1; SMN2

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 2387/4885MEN1 4797/4885KMT2A 1507/4885

“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.