SCHEMBL3006883

SCHEMBL3006883

Cc1ccccc1-c1csc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
MAPT P10636 4/20 0.51
ALDH1A1 P00352 3/20 0.50
GBA1 P04062 2/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
USP2 O75604 1/20 0.47
RECQL P46063 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 1/20 0.46
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.44

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
SCHEMBL3016328 0.94 MAPT (0.50) LMNAMAPTALDH1A1GBA1SMN1; SMN2
SCHEMBL3019484 0.91 AR (0.53) LMNAMAPTALDH1A1GBA1SMN1; SMN2
SCHEMBL3006280 0.91 LMNA (0.53) LMNAMAPTALDH1A1GBA1SMN1; SMN2
SCHEMBL3012786 0.91 SMN1; SMN2 (0.53) LMNAMAPTALDH1A1GBA1SMN1; SMN2
SCHEMBL3015882 0.88 MAPT (0.54) LMNAMAPTALDH1A1GBA1SMN1; SMN2
SCHEMBL3006450 0.87 LMNA (0.51) LMNAMAPTALDH1A1GBA1SMN1; SMN2
SCHEMBL3011831 0.87 GBA1 (0.60) LMNAMAPTALDH1A1GBA1SMN1; SMN2
SCHEMBL3003044 0.86 SMN1; SMN2 (0.53) LMNAMAPTALDH1A1GBA1SMN1; SMN2
SCHEMBL3016510 0.86 VCAM1 (0.53) LMNAMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL3017989 0.86 SMN1; SMN2 (0.53) LMNAMAPTALDH1A1GBA1SMN1; 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 3 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

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 LMNA 80/4885MAPT 18/4885ALDH1A1 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.