SCHEMBL3014770

SCHEMBL3014770

O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3nc(Cc4ccccc4)cs3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
ALDH1A1 P00352 3/20 0.53
HSP90AA1 P07900 1/20 0.53
GBA1 P04062 2/20 0.50
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HSD11B1 P28845 2/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 2/20 0.43

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
SCHEMBL3017003 0.90 ALDH1A1 (0.56) KMT2AALDH1A1GBA1SMN1; SMN2HTT
SCHEMBL3006466 0.90 HDAC3 (0.46) KMT2AALDH1A1HSP90AA1GBA1HDAC3
SCHEMBL3018950 0.90 HDAC3 (0.46) KMT2AALDH1A1GBA1HDAC3HDAC4
SCHEMBL3010072 0.90 SMN1; SMN2 (0.52) KMT2AALDH1A1HSP90AA1GBA1HDAC3
SCHEMBL3012726 0.89 HDAC3 (0.44) KMT2AALDH1A1HSP90AA1GBA1HDAC3
SCHEMBL3011366 0.89 HDAC3 (0.46) KMT2AALDH1A1HSP90AA1GBA1HDAC3
SCHEMBL3013118 0.88 FAAH (0.47) KMT2AALDH1A1HSP90AA1GBA1HDAC3
SCHEMBL3009111 0.88 RECQL (0.47) KMT2AALDH1A1HDAC3HDAC4HDAC1
SCHEMBL3009184 0.87 HDAC3 (0.46) KMT2AALDH1A1HSP90AA1GBA1HDAC3
SCHEMBL3014127 0.87 SMN1; SMN2 (0.46) KMT2AALDH1A1HSP90AA1GBA1HDAC3

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 KMT2A 2680/4885ALDH1A1 3510/4885HSP90AA1 608/4885

“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.