SCHEMBL3018885

SCHEMBL3018885

Cc1cc(C)cc(-c2csc(N3CCN(S(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)CC3)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.54
SMN1; SMN2 Q16637 7/20 0.53
ALDH1A1 P00352 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NPBWR1 P48145 1/20 0.51
MCHR1 Q99705 1/20 0.51
MAPT P10636 6/20 0.48
USP2 O75604 1/20 0.48
RECQL P46063 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
LMNA P02545 3/20 0.45
MAPK1 P28482 2/20 0.45
POLB P06746 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL3016363 0.93 SMN1; SMN2 (0.58) VCAM1SMN1; SMN2ALDH1A1L3MBTL1NPBWR1
SCHEMBL3006215 0.92 MAPT (0.54) VCAM1SMN1; SMN2ALDH1A1L3MBTL1NPBWR1
SCHEMBL3013968 0.90 SMN1; SMN2 (0.54) VCAM1SMN1; SMN2ALDH1A1L3MBTL1NPBWR1
SCHEMBL3021474 0.90 VCAM1 (0.53) VCAM1SMN1; SMN2ALDH1A1L3MBTL1NPBWR1
SCHEMBL3019652 0.89 SMN1; SMN2 (0.53) VCAM1SMN1; SMN2ALDH1A1L3MBTL1NPBWR1
SCHEMBL3016152 0.89 SMN1; SMN2 (0.60) VCAM1SMN1; SMN2ALDH1A1L3MBTL1NPBWR1
SCHEMBL3001171 0.89 SMN1; SMN2 (0.60) VCAM1SMN1; SMN2ALDH1A1L3MBTL1NPBWR1
SCHEMBL3011715 0.89 MEN1 (0.57) VCAM1SMN1; SMN2ALDH1A1L3MBTL1NPBWR1
SCHEMBL3001871 0.89 SMN1; SMN2 (0.57) VCAM1SMN1; SMN2ALDH1A1L3MBTL1NPBWR1
SCHEMBL3011117 0.88 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1L3MBTL1MAPTUSP2

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 3154/4885SMN1; SMN2 1/4885ALDH1A1 3510/4885

“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.