SCHEMBL3016779

SCHEMBL3016779

COc1cc(Cc2csc(N3CCN(S(=O)(=O)c4cc(C)c(Cl)cc4Cl)CC3)n2)cc(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.45
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 5/20 0.39
MAPT P10636 2/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK1 P28482 2/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.37
RECQL P46063 1/20 0.37
TSHR P16473 2/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL3014969 0.90 TP53 (0.46) TP53KMT2AALDH1A1MAPTCYP3A4
SCHEMBL3011147 0.89 TP53 (0.42) TP53KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3020323 0.89 ALDH1A1 (0.36) TP53KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3018943 0.88 CYP3A4 (0.44) TP53ALDH1A1MAPTCYP3A4CYP2C9
SCHEMBL3011886 0.88 CYP3A4 (0.48) TP53ALDH1A1MAPTCYP3A4CYP2C9
SCHEMBL3014957 0.87 LMNA (0.39) TP53KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3016841 0.87 LMNA (0.39) TP53KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3018440 0.86 TP53 (0.43) TP53KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3014976 0.86 MEN1 (0.43) TP53KMT2AALDH1A1MAPTCYP3A4
SCHEMBL3000530 0.86 MAPT (0.43) TP53KMT2AALDH1A1MAPTSMN1; 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 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 TP53 2880/4885KMT2A 2680/4885ALDH1A1 3510/4885

“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.