SCHEMBL3017380

SCHEMBL3017380

Cc1cccc(C)c1-c1csc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
NPC1 O15118 1/20 0.51
POLB P06746 1/20 0.51
RAB9A P51151 1/20 0.51
MAPT P10636 4/20 0.51
USP2 O75604 1/20 0.51
RECQL P46063 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50

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
SCHEMBL3006280 0.91 LMNA (0.53) SMN1; SMN2ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL3018695 0.91 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL3011688 0.89 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL3012786 0.89 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL3014790 0.88 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL3003093 0.86 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL3008020 0.86 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL3006504 0.86 ALDH1A1 (0.72) SMN1; SMN2ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL3013744 0.85 VCAM1 (0.53) SMN1; SMN2ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL3006450 0.85 LMNA (0.51) SMN1; SMN2ALDH1A1L3MBTL1KMT2AMEN1

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 1/4885ALDH1A1 3510/4885L3MBTL1 1847/4885

“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.