SCHEMBL3000543

SCHEMBL3000543

COc1cc(Cc2csc(N3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)n2)cc(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 2/20 0.50
THRB P10828 2/20 0.50
MAPT P10636 3/20 0.49
USP2 O75604 2/20 0.48
RECQL P46063 1/20 0.48
HSD17B10 Q99714 1/20 0.48
LMNA P02545 2/20 0.47
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
HPGD P15428 1/20 0.46
IDO1 P14902 1/20 0.45
GBA1 P04062 2/20 0.45
PIK3CA P42336 1/20 0.43
MTOR P42345 1/20 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
SCHEMBL3014602 0.94 ALDH1A1 (0.53) ALDH1A1KDM4ETHRBMAPTUSP2
SCHEMBL3013246 0.93 ALDH1A1 (0.55) ALDH1A1KDM4ETHRBMAPTUSP2
SCHEMBL3007614 0.91 RECQL (0.49) ALDH1A1MAPTUSP2RECQLHSD17B10
SCHEMBL3005739 0.90 ALDH1A1 (0.48) ALDH1A1KDM4ETHRBMAPTUSP2
SCHEMBL3011031 0.89 MAPT (0.52) ALDH1A1KDM4ETHRBMAPTLMNA
SCHEMBL3001116 0.88 ALDH1A1 (0.54) ALDH1A1KDM4ETHRBMAPTUSP2
SCHEMBL3017003 0.88 ALDH1A1 (0.56) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL3011760 0.87 MAPT (0.55) ALDH1A1KDM4ETHRBMAPTUSP2
SCHEMBL3022134 0.87 MAPT (0.52) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL3016504 0.87 MAPT (0.54) ALDH1A1KDM4ETHRBMAPTLMNA

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 4398/4885THRB 2628/4885

“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.