SCHEMBL3010072

SCHEMBL3010072

O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3nc(Cc4ccc(Cl)cc4)cs3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 1/20 0.52
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
FAAH O00519 1/20 0.45
MGLL Q99685 1/20 0.45
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 2/20 0.43
LSS P48449 2/20 0.43
HSD11B1 P28845 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
SCHEMBL3007797 0.92 SMN1; SMN2 (0.51) SMN1; SMN2MAPTALDH1A1L3MBTL1POLB
SCHEMBL3014127 0.91 SMN1; SMN2 (0.46) SMN1; SMN2MAPTHDAC3HDAC4HDAC1
SCHEMBL3013167 0.90 HDAC3 (0.45) SMN1; SMN2MAPTHDAC3HDAC4HDAC1
SCHEMBL3018950 0.90 HDAC3 (0.46) SMN1; SMN2MAPTHDAC3HDAC4HDAC1
SCHEMBL3006466 0.90 HDAC3 (0.46) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL3014770 0.90 KMT2A (0.53) SMN1; SMN2MAPTHDAC3HDAC4HDAC1
SCHEMBL3015508 0.90 MAPT (0.49) SMN1; SMN2MAPTALDH1A1POLBKMT2A
SCHEMBL3018172 0.90 SMN1; SMN2 (0.46) SMN1; SMN2MAPTHDAC3HDAC4HDAC1
SCHEMBL2999769 0.89 SMN1; SMN2 (0.48) SMN1; SMN2MAPTHDAC3HDAC4HDAC1
SCHEMBL3013118 0.89 FAAH (0.47) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7

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 SMN1; SMN2 1/4885MAPT 18/4885HDAC3 728/4885

“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.