SCHEMBL3017567

SCHEMBL3017567

COc1ccc(Cc2csc(N3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)n2)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 3/20 0.49
THRB P10828 2/20 0.49
MAPT P10636 3/20 0.47
USP2 O75604 2/20 0.47
RECQL P46063 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 1/20 0.47
IDO1 P14902 1/20 0.45
POLB P06746 1/20 0.43
GBA1 P04062 2/20 0.43
HTR1A P08908 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL3010375 0.94 ALDH1A1 (0.50) ALDH1A1KDM4ETHRBMAPTUSP2
SCHEMBL3017323 0.92 RECQL (0.48) ALDH1A1KDM4EMAPTUSP2RECQL
SCHEMBL3015321 0.91 ALDH1A1 (0.49) ALDH1A1KDM4ETHRBMAPTUSP2
SCHEMBL3013246 0.89 ALDH1A1 (0.55) ALDH1A1KDM4ETHRBMAPTUSP2
SCHEMBL3014602 0.88 ALDH1A1 (0.53) ALDH1A1KDM4ETHRBMAPTUSP2
SCHEMBL3006277 0.88 ALDH1A1 (0.38) ALDH1A1KDM4ETHRBMAPTUSP2
SCHEMBL3017953 0.87 VCAM1 (0.46) ALDH1A1KDM4EMAPTUSP2RECQL
SCHEMBL3000543 0.87 ALDH1A1 (0.51) ALDH1A1KDM4ETHRBMAPTUSP2
SCHEMBL3012668 0.87 MAPT (0.54) ALDH1A1KDM4ETHRBMAPTUSP2
SCHEMBL3003853 0.87 MAPT (0.48) ALDH1A1KDM4EMAPTUSP2RECQL

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.