SCHEMBL3012422

SCHEMBL3012422

COc1cc(-c2csc(N3CCN(S(=O)(=O)c4ccccc4Br)CC3)n2)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
MAPK1 P28482 4/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 9/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
LMNA P02545 4/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
RECQL P46063 3/20 0.50
HSD17B10 Q99714 3/20 0.50
USP2 O75604 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NTSR1 P30989 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
POLB P06746 1/20 0.44
GBA1 P04062 2/20 0.43
HTT P42858 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
SCHEMBL3021320 0.91 MAPT (0.58) ALDH1A1MAPK1GAAMAPTSMN1; SMN2
SCHEMBL3020375 0.90 ALDH1A1 (0.57) ALDH1A1MAPK1GAAMAPTSMN1; SMN2
SCHEMBL3018436 0.89 MAPT (0.58) ALDH1A1MAPK1GAAMAPTSMN1; SMN2
SCHEMBL3015847 0.87 GAA (0.56) ALDH1A1MAPK1GAAMAPTSMN1; SMN2
SCHEMBL3018535 0.86 PKM (0.56) ALDH1A1MAPK1GAAMAPTSMN1; SMN2
SCHEMBL3008780 0.86 ALDH1A1 (0.53) ALDH1A1MAPK1GAAMAPTSMN1; SMN2
SCHEMBL3009500 0.86 ALDH1A1 (0.55) ALDH1A1MAPK1GAAMAPTSMN1; SMN2
SCHEMBL3015062 0.85 MAPT (0.58) ALDH1A1MAPK1MAPTSMN1; SMN2LMNA
SCHEMBL3008115 0.85 ALDH1A1 (0.51) ALDH1A1MAPK1GAAMAPTSMN1; SMN2
SCHEMBL3017812 0.85 SMN1; SMN2 (0.55) ALDH1A1MAPK1MAPTSMN1; SMN2LMNA

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 ALDH1A1 3510/4885MAPK1 2767/4885GAA 110/4885

“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.