SCHEMBL3022496

SCHEMBL3022496

Cc1ccccc1Cc1csc(N2CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
TP53 P04637 2/20 0.39
TRPV4 Q9HBA0 1/20 0.38
MAPT P10636 2/20 0.37
LPAR1 Q92633 1/20 0.37
LPAR2 Q9HBW0 1/20 0.37
PKM P14618 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RAB9A P51151 1/20 0.36
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36

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
SCHEMBL3012131 0.93 TP53 (0.40) MEN1KMT2ALMNAMAPK1TP53
SCHEMBL3009039 0.92 TRPV4 (0.47) MEN1KMT2ALMNAMAPK1TP53
SCHEMBL3022709 0.90 ALDH1A1 (0.39) MEN1KMT2AMAPTLPAR1LPAR2
SCHEMBL3006100 0.90 TP53 (0.42) MEN1KMT2ALMNAMAPK1TP53
SCHEMBL3017589 0.89 ALDH1A1 (0.45) MEN1KMT2ALMNAMAPK1TP53
SCHEMBL3014221 0.89 CHRM4 (0.44) MEN1KMT2ALMNAMAPK1TP53
SCHEMBL3006531 0.89 TP53 (0.41) MEN1KMT2ALMNAMAPK1TP53
SCHEMBL3008522 0.88 LMNA (0.44) MEN1KMT2ALMNAMAPK1TP53
SCHEMBL3017760 0.87 TRPV4 (0.45) MEN1KMT2ALMNAMAPK1TRPV4
SCHEMBL3019117 0.87 CTSS (0.35) MEN1KMT2ALMNAMAPK1SMN1; SMN2

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 7 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
EP-2188290-A1 PYRAZOLO[3,4-D]-PYRAMIDINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS F. Hoffmann-Roche AG (CH) 2010-05-26 EP disclosed
WO-2009021869-A1 PYRAZOLO[3,4-D]-PYRAMIDINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-19 WO 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 MEN1 454/4885KMT2A 2680/4885LMNA 80/4885

“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.