SCHEMBL3018845

SCHEMBL3018845

O=[N+]([O-])c1cc(S(=O)(=O)C2CCN(c3nc(-c4cc(F)cc(F)c4)cs3)CC2)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 5/20 0.41
RAB9A P51151 6/20 0.41
NPC1 O15118 5/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 2/20 0.41
USP2 O75604 1/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40
VCAM1 P19320 2/20 0.40
MAPK1 P28482 2/20 0.40
NPBWR1 P48145 1/20 0.39
MCHR1 Q99705 1/20 0.39
AR P10275 3/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37

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
SCHEMBL3016292 0.96 SMN1; SMN2 (0.43) SMN1; SMN2L3MBTL1ALDH1A1MAPTRAB9A
SCHEMBL3012914 0.92 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1ALDH1A1MAPTRAB9A
SCHEMBL3010842 0.90 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1ALDH1A1MAPTRAB9A
SCHEMBL3016899 0.90 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1ALDH1A1MAPTRAB9A
SCHEMBL3018334 0.90 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1ALDH1A1MAPTRAB9A
SCHEMBL3023000 0.89 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1ALDH1A1MAPTRAB9A
SCHEMBL3008599 0.89 MAPK1 (0.47) SMN1; SMN2L3MBTL1ALDH1A1MAPTRAB9A
SCHEMBL3009863 0.89 AR (0.52) SMN1; SMN2L3MBTL1ALDH1A1MAPTRAB9A
SCHEMBL3015137 0.89 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1ALDH1A1MAPTRAB9A
SCHEMBL3006457 0.87 MAPT (0.46) SMN1; SMN2ALDH1A1MAPTRAB9ANPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885L3MBTL1 1847/4885ALDH1A1 3510/4885

“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.