SCHEMBL3016673

SCHEMBL3016673

COc1cc(Cc2csc(N3CCC(S(=O)(=O)c4cccc(Br)c4)CC3)n2)cc(OC)c1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
GHSR Q92847 2/20 0.35
HTR1B P28222 1/20 0.35
DRD2 P14416 5/20 0.35
DRD4 P21917 5/20 0.35
DRD3 P35462 5/20 0.35
GPR6 P46095 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDGFRB P09619 1/20 0.33
KDR P35968 1/20 0.33
FKBP1A P62942 3/20 0.33
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL3006248 0.92 DRD2 (0.36) GHSRHTR1BDRD2DRD4DRD3
SCHEMBL3010886 0.91 TP53 (0.39) ALDH1A1GAAMAPK1DRD2DRD4
SCHEMBL3009020 0.90 USP2 (0.41) ALDH1A1GAAMAPK1GPR6SMN1; SMN2
SCHEMBL3021483 0.90 GPR6 (0.40) ALDH1A1GAAMAPK1GPR6MEN1
SCHEMBL3016716 0.90 GPR6 (0.38) ALDH1A1MAPK1GPR6SMN1; SMN2FKBP1A
SCHEMBL3014895 0.88 MAPT (0.39) ALDH1A1MAPK1GPR6SMN1; SMN2FKBP1A
SCHEMBL3015109 0.88 KDM4E (0.40) ALDH1A1GAAMAPK1MEN1KMT2A
SCHEMBL3021005 0.88 ADORA2A (0.44) ALDH1A1GAAKMT2ASMN1; SMN2ADORA2A
SCHEMBL3003523 0.87 HTR2A (0.38) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL3019045 0.87 GAA (0.38) ALDH1A1GAAMAPK1DRD2DRD4

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 ALDH1A1 3510/4885GAA 110/4885MAPK1 2767/4885

“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.