SCHEMBL3013249

SCHEMBL3013249

Cc1ccc(Cc2csc(N3CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)n2)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
HSD11B1 P28845 1/20 0.43
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 2/20 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
SCHEMBL3008711 0.91 MAPT (0.50) ALDH1A1LMNAMAPTKMT2ACYP3A4
SCHEMBL3018950 0.90 HDAC3 (0.46) ALDH1A1SMN1; SMN2LMNAMAPTHDAC3
SCHEMBL3017192 0.89 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2LMNAGAAMAPT
SCHEMBL3009184 0.89 HDAC3 (0.46) ALDH1A1SMN1; SMN2MAPTHDAC3HDAC4
SCHEMBL3012726 0.88 HDAC3 (0.44) ALDH1A1SMN1; SMN2MAPTHDAC3HDAC4
SCHEMBL3013167 0.88 HDAC3 (0.45) ALDH1A1SMN1; SMN2MAPTHDAC3HDAC4
SCHEMBL3018169 0.88 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL3017538 0.88 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2LMNAGAAMAPT
SCHEMBL3017242 0.88 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2LMNAMAPTL3MBTL1
SCHEMBL3006466 0.88 HDAC3 (0.46) ALDH1A1SMN1; SMN2HDAC3HDAC4HDAC1

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 3510/4885SMN1; SMN2 1/4885LMNA 80/4885

“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.