SCHEMBL3017408

SCHEMBL3017408

O=S(=O)(c1cccc(Cl)c1)N1CCN(c2nc(Cc3ccccc3)cs2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
GBA1 P04062 2/20 0.50
KMT2A Q03164 7/20 0.48
MEN1 O00255 6/20 0.48
HSD11B1 P28845 1/20 0.45
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
PTPN11 Q06124 1/20 0.43
PIK3CA P42336 1/20 0.43
MTOR P42345 1/20 0.43
CHRM4 P08173 1/20 0.42
CNR1 P21554 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
SCHEMBL3018692 0.94 ALDH1A1 (0.48) ALDH1A1KDM4EGBA1KMT2AMEN1
SCHEMBL3016495 0.92 ALDH1A1 (0.48) ALDH1A1KDM4EGBA1KMT2AMEN1
SCHEMBL3013183 0.92 CNR1 (0.51) ALDH1A1KDM4EGBA1KMT2AMEN1
SCHEMBL3016050 0.91 ALDH1A1 (0.46) ALDH1A1KDM4EGBA1KMT2AMEN1
SCHEMBL3015788 0.91 MEN1 (0.46) ALDH1A1KDM4EGBA1KMT2AMEN1
SCHEMBL3013608 0.90 ALDH1A1 (0.45) ALDH1A1KDM4EGBA1KMT2AMEN1
SCHEMBL3016663 0.90 MEN1 (0.45) ALDH1A1KDM4EGBA1KMT2AMEN1
SCHEMBL3002585 0.90 ALDH1A1 (0.46) ALDH1A1KDM4EGBA1KMT2AMEN1
SCHEMBL3007842 0.89 MEN1 (0.44) ALDH1A1KDM4EGBA1KMT2AMEN1
SCHEMBL3015798 0.89 ALDH1A1 (0.46) ALDH1A1KDM4EGBA1KMT2AMEN1

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 3510/4885KDM4E 4398/4885GBA1 4/4885

“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.