SCHEMBL3015789

SCHEMBL3015789

O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(c3nc(Cc4cc(Cl)cc(Cl)c4)cs3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.49
CYP21A2 P08686 1/20 0.49
CYP11B1 P15538 1/20 0.49
MAPT P10636 1/20 0.49
LMNA P02545 1/20 0.49
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
GBA1 P04062 2/20 0.47
PIK3CA P42336 1/20 0.44
MTOR P42345 1/20 0.44
POLB P06746 1/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL3013820 0.94 CYP17A1 (0.47) CYP17A1CYP21A2CYP11B1MAPTLMNA
SCHEMBL3015508 0.93 MAPT (0.49) CYP17A1CYP21A2CYP11B1MAPTLMNA
SCHEMBL3014127 0.91 SMN1; SMN2 (0.46) MAPTALDH1A1KMT2AMEN1GBA1
SCHEMBL2997947 0.90 MAPT (0.48) CYP17A1CYP21A2CYP11B1MAPTLMNA
SCHEMBL3017003 0.90 ALDH1A1 (0.56) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL3002654 0.90 MAPT (0.46) CYP17A1CYP21A2CYP11B1MAPTLMNA
SCHEMBL3011031 0.89 MAPT (0.52) CYP17A1CYP21A2CYP11B1MAPTLMNA
SCHEMBL3017618 0.89 MAPT (0.49) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL3014584 0.89 MAPT (0.48) CYP17A1CYP21A2CYP11B1MAPTLMNA
SCHEMBL3014341 0.89 MAPT (0.48) MAPTLMNAALDH1A1KMT2AMEN1

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 CYP17A1 3887/4885CYP21A2 4129/4885CYP11B1 3641/4885

“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.