SCHEMBL3000517

SCHEMBL3000517

O=S(=O)(c1ccc(Cl)c(Cl)c1)C1CCN(c2nc(-c3cccc(Br)c3)cs2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.48
RAB9A P51151 6/20 0.48
AR P10275 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 2/20 0.44
USP2 O75604 1/20 0.44
RECQL P46063 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 5/20 0.43
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
CDC25A P30304 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 1/20 0.40

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
SCHEMBL3007275 0.93 AR (0.53) SMN1; SMN2RAB9AARL3MBTL1MAPT
SCHEMBL3000308 0.90 SMN1; SMN2 (0.52) SMN1; SMN2RAB9AMAPTUSP2RECQL
SCHEMBL3016185 0.90 RAB9A (0.49) SMN1; SMN2RAB9AMAPTUSP2RECQL
SCHEMBL3023016 0.90 SMN1; SMN2 (0.56) SMN1; SMN2RAB9AL3MBTL1MAPTUSP2
SCHEMBL3006903 0.89 RAB9A (0.53) SMN1; SMN2RAB9AL3MBTL1MAPTUSP2
SCHEMBL3015811 0.89 MAPK1 (0.52) SMN1; SMN2RAB9AARL3MBTL1MAPT
SCHEMBL3008228 0.89 SMN1; SMN2 (0.51) SMN1; SMN2RAB9AMAPTUSP2RECQL
SCHEMBL3007949 0.89 AR (0.60) SMN1; SMN2RAB9AARL3MBTL1MAPT
SCHEMBL3016248 0.89 SMN1; SMN2 (0.48) SMN1; SMN2RAB9AARL3MBTL1MAPT
SCHEMBL3014888 0.87 AR (0.55) SMN1; SMN2RAB9AARL3MBTL1MAPT

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 1/4885RAB9A 2943/4885AR 3801/4885

“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.