SCHEMBL3017416

SCHEMBL3017416

CCCc1ccc(Cc2csc(N3CCN(S(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)CC3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 6/20 0.50
NPBWR1 P48145 1/20 0.47
MCHR1 Q99705 1/20 0.47
CYP17A1 P05093 1/20 0.41
CYP21A2 P08686 1/20 0.41
CYP11B1 P15538 1/20 0.41
THRB P10828 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
PKM P14618 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD11B1 P28845 1/20 0.38

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
SCHEMBL3017551 0.93 VCAM1 (0.52) VCAM1NPBWR1MCHR1CYP17A1CYP21A2
SCHEMBL3018387 0.91 VCAM1 (0.52) VCAM1NPBWR1MCHR1CYP17A1CYP21A2
SCHEMBL3012868 0.91 VCAM1 (0.51) VCAM1NPBWR1MCHR1CYP17A1CYP21A2
SCHEMBL3007276 0.89 VCAM1 (0.51) VCAM1NPBWR1MCHR1CYP17A1CYP21A2
SCHEMBL3013461 0.89 VCAM1 (0.51) VCAM1NPBWR1MCHR1CYP17A1CYP21A2
SCHEMBL3009148 0.89 THRB (0.47) THRBALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL3014640 0.89 VCAM1 (0.48) VCAM1NPBWR1MCHR1ALDH1A1SMN1; SMN2
SCHEMBL3010081 0.89 VCAM1 (0.49) VCAM1NPBWR1MCHR1ALDH1A1SMN1; SMN2
SCHEMBL3006235 0.88 SMN1; SMN2 (0.53) VCAM1NPBWR1MCHR1CYP17A1CYP21A2
SCHEMBL3651838 0.88 VCAM1 (0.50) VCAM1NPBWR1MCHR1CYP17A1CYP21A2

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.