SCHEMBL3016965

SCHEMBL3016965

COc1cc(Cc2csc(N3CCN(S(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)CC3)n2)cc(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.49
NPBWR1 P48145 1/20 0.46
MCHR1 Q99705 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
MAPT P10636 3/20 0.44
HSD17B10 Q99714 2/20 0.44
USP2 O75604 1/20 0.44
RECQL P46063 1/20 0.44
HSD11B1 P28845 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 3/20 0.42
MAPK1 P28482 3/20 0.42
PKM P14618 1/20 0.42
POLB P06746 1/20 0.41
CYP17A1 P05093 1/20 0.40
CYP21A2 P08686 1/20 0.40
CYP11B1 P15538 1/20 0.40

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
SCHEMBL3010081 0.93 VCAM1 (0.49) VCAM1NPBWR1MCHR1L3MBTL1MAPT
SCHEMBL3012545 0.93 MAPT (0.50) VCAM1NPBWR1MCHR1L3MBTL1MAPT
SCHEMBL3651083 0.90 VCAM1 (0.46) VCAM1NPBWR1MCHR1L3MBTL1MAPT
SCHEMBL3017535 0.90 VCAM1 (0.48) VCAM1NPBWR1MCHR1L3MBTL1MAPT
SCHEMBL3012030 0.89 HSD17B10 (0.48) L3MBTL1MAPTHSD17B10USP2RECQL
SCHEMBL3013222 0.89 VCAM1 (0.52) VCAM1NPBWR1MCHR1L3MBTL1MAPT
SCHEMBL3019766 0.89 VCAM1 (0.51) VCAM1NPBWR1MCHR1L3MBTL1MAPT
SCHEMBL3012563 0.88 RAB9A (0.51) VCAM1NPBWR1MCHR1L3MBTL1MAPT
SCHEMBL3007614 0.88 RECQL (0.49) L3MBTL1MAPTHSD17B10USP2RECQL
SCHEMBL3010737 0.88 VCAM1 (0.38) VCAM1NPBWR1MCHR1L3MBTL1MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188272-B1 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES REMYND NV (BE) 2016-02-24 EP disclosed
US-8722681-B2 N-sulfonyl thiazolylpiperazine derivatives and related N-sulfonyl heterocyclic derivatives for the treatment of neuro degenerative diseases NV REMYND (BE) 2014-05-13 US disclosed
US-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV REMYND (BE) 2010-08-05 US disclosed
EP-2188272-A2 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV Remynd (BE) 2010-05-26 EP disclosed
WO-2009019295-A2 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-12 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-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES SMN1; SMN2, HTT, SNCA VCAM1 3154/4885NPBWR1 782/4885MCHR1 3574/4885

“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.