SCHEMBL3013965

SCHEMBL3013965

COc1ccc(-c2csc(N3CCN(S(=O)(=O)c4cc(Br)ccc4OC)CC3)n2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.59
MAPT P10636 4/20 0.59
RAB9A P51151 3/20 0.59
NPC1 O15118 2/20 0.59
GAA P10253 4/20 0.55
RECQL P46063 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
KDM4E B2RXH2 1/20 0.52
NTSR1 P30989 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
USP2 O75604 2/20 0.51
HSD17B10 Q99714 1/20 0.51
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
LMNA P02545 2/20 0.47
MAPK1 P28482 3/20 0.47
POLB P06746 1/20 0.47
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46

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
SCHEMBL3003103 0.92 GAA (0.52) SMN1; SMN2MAPTRAB9ANPC1GAA
SCHEMBL3013634 0.92 SMN1; SMN2 (0.56) SMN1; SMN2MAPTRAB9ANPC1GAA
SCHEMBL3019571 0.92 GAA (0.52) SMN1; SMN2MAPTRAB9ANPC1GAA
SCHEMBL3015847 0.91 GAA (0.56) SMN1; SMN2MAPTRAB9ANPC1GAA
SCHEMBL3011013 0.91 GAA (0.54) SMN1; SMN2MAPTRAB9ANPC1GAA
SCHEMBL3011654 0.91 POLB (0.56) SMN1; SMN2MAPTRAB9ANPC1GAA
SCHEMBL3018355 0.91 MAPT (0.57) SMN1; SMN2MAPTRAB9ANPC1GAA
SCHEMBL3005116 0.91 MAPT (0.52) SMN1; SMN2MAPTRAB9ANPC1GAA
SCHEMBL3002735 0.91 GAA (0.53) SMN1; SMN2MAPTRAB9ANPC1GAA
SCHEMBL3020045 0.90 LMNA (0.59) SMN1; SMN2MAPTRAB9ANPC1GAA

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 SMN1; SMN2 1/4885MAPT 18/4885RAB9A 2943/4885

“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.