SCHEMBL3021769

SCHEMBL3021769

Cc1ccc(C)c(-c2csc(N3CCN(S(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)CC3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.53
VCAM1 P19320 3/20 0.52
NPBWR1 P48145 1/20 0.48
MCHR1 Q99705 1/20 0.48
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MCOLN3 Q8TDD5 2/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
MAPT P10636 3/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
USP2 O75604 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL3016510 0.90 VCAM1 (0.53) VCAM1NPBWR1MCHR1ALDH1A1L3MBTL1
SCHEMBL3017126 0.89 AR (0.58) ARNFKB1NFKB2RELAALDH1A1
SCHEMBL3016363 0.88 SMN1; SMN2 (0.58) VCAM1NPBWR1MCHR1ALDH1A1L3MBTL1
SCHEMBL3021474 0.87 VCAM1 (0.53) VCAM1NPBWR1MCHR1ALDH1A1L3MBTL1
SCHEMBL3004505 0.87 AR (0.56) ARNFKB1NFKB2RELAALDH1A1
SCHEMBL3017647 0.87 VCAM1 (0.51) VCAM1NPBWR1MCHR1ALDH1A1L3MBTL1
SCHEMBL3019652 0.86 SMN1; SMN2 (0.53) ARVCAM1NPBWR1MCHR1ALDH1A1
SCHEMBL3018885 0.86 VCAM1 (0.54) VCAM1NPBWR1MCHR1ALDH1A1L3MBTL1
SCHEMBL3005755 0.86 AR (0.59) ARNFKB1NFKB2RELAALDH1A1
SCHEMBL3019484 0.86 AR (0.53) ARNFKB1NFKB2RELAALDH1A1

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 AR 3801/4885VCAM1 3154/4885NPBWR1 782/4885

“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.