SCHEMBL3013181

SCHEMBL3013181

O=S(=O)(c1ccc(Br)cc1)N1CCN(c2nc(Cc3cc(Cl)cc(Cl)c3)cs2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.42
PKM P14618 2/20 0.41
USP2 O75604 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 2/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
GBA1 P04062 3/20 0.39
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
THRB P10828 1/20 0.38
LMNA P02545 1/20 0.38
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
NOD2 Q9HC29 1/20 0.38

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
SCHEMBL3014115 0.93 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2L3MBTL1POLBPKM
SCHEMBL3018905 0.93 POLB (0.49) ALDH1A1SMN1; SMN2L3MBTL1POLBPKM
SCHEMBL3019185 0.91 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2L3MBTL1POLBUSP2
SCHEMBL3020344 0.91 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2L3MBTL1POLBPKM
SCHEMBL3012779 0.90 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2L3MBTL1POLBPKM
SCHEMBL3012502 0.90 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2L3MBTL1POLBPKM
SCHEMBL3007845 0.89 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2L3MBTL1POLBUSP2
SCHEMBL3002653 0.89 MEN1 (0.44) ALDH1A1SMN1; SMN2L3MBTL1USP2HSD17B10
SCHEMBL3013550 0.89 THRB (0.47) ALDH1A1SMN1; SMN2L3MBTL1POLBPKM
SCHEMBL3003675 0.89 L3MBTL1 (0.44) ALDH1A1SMN1; SMN2L3MBTL1POLBUSP2

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 1/4885L3MBTL1 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.