SCHEMBL3016663

SCHEMBL3016663

O=S(=O)(c1cccc(Cl)c1)N1CCN(c2nc(Cc3cccc(Br)c3)cs2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 3/20 0.45
GBA1 P04062 4/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD11B1 P28845 1/20 0.42
LPAR2 Q9HBW0 1/20 0.41
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
CHRM4 P08173 1/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39

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
SCHEMBL3009030 0.94 CNR1 (0.43) MEN1KMT2AALDH1A1GBA1KDM4E
SCHEMBL3012672 0.93 KMT2A (0.50) MEN1KMT2AALDH1A1GBA1KDM4E
SCHEMBL3002653 0.91 MEN1 (0.44) MEN1KMT2AALDH1A1GBA1KDM4E
SCHEMBL3015401 0.91 GBA1 (0.49) MEN1KMT2AALDH1A1GBA1KDM4E
SCHEMBL3014383 0.91 MEN1 (0.42) MEN1KMT2AALDH1A1GBA1HSD11B1
SCHEMBL3017408 0.90 ALDH1A1 (0.51) MEN1KMT2AALDH1A1GBA1KDM4E
SCHEMBL3016495 0.90 ALDH1A1 (0.48) MEN1KMT2AALDH1A1GBA1KDM4E
SCHEMBL3018467 0.90 ALDH1A1 (0.43) MEN1KMT2AALDH1A1GBA1LPAR2
SCHEMBL3005969 0.90 GBA1 (0.44) MEN1KMT2AALDH1A1GBA1LMNA
SCHEMBL3017026 0.89 MEN1 (0.44) MEN1KMT2AALDH1A1GBA1HSD11B1

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 MEN1 454/4885KMT2A 2680/4885ALDH1A1 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.