SCHEMBL2998539

SCHEMBL2998539

N#Cc1ccccc1S(=O)(=O)N1CCN(c2nc(Cc3cccc(Br)c3)cs2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GBA1 P04062 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
ATM Q13315 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM2B Q8NHM5 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL3006966 0.90 GBA1 (0.50) ALDH1A1KDM4EGBA1SMN1; SMN2PKM
SCHEMBL3007459 0.89 ALDH1A1 (0.48) ALDH1A1KDM4EGBA1SMN1; SMN2PKM
SCHEMBL3012745 0.88 LMNA (0.43) ALDH1A1KDM4EGBA1SMN1; SMN2PKM
SCHEMBL3011278 0.87 ALDH1A1 (0.46) ALDH1A1KDM4EGBA1SMN1; SMN2PKM
SCHEMBL3013843 0.87 KMT2A (0.43) ALDH1A1GBA1SMN1; SMN2MEN1LMNA
SCHEMBL3014987 0.87 PKM (0.48) ALDH1A1KDM4EGBA1SMN1; SMN2PKM
SCHEMBL3016066 0.87 DRD2 (0.41) KMT2AHTR2AHTR2CNR3C1
SCHEMBL3016114 0.86 ALDH1A1 (0.45) ALDH1A1KDM4EGBA1SMN1; SMN2PKM
SCHEMBL3017423 0.86 ALDH1A1 (0.46) ALDH1A1KDM4EGBA1SMN1; SMN2PKM
SCHEMBL3014971 0.86 ALDH1A1 (0.44) ALDH1A1KDM4EGBA1SMN1; SMN2PKM

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.