SCHEMBL3017287

SCHEMBL3017287

Cc1ccccc1Cc1csc(N2CCC(S(=O)(=O)c3cccc(Br)c3)CC2)n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DNM1L O00429 6/20 0.34
GBA1 P04062 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
EGFR P00533 2/20 0.33
HTR2A P28223 1/20 0.32
CTSL P07711 1/20 0.32
CTSK P43235 1/20 0.32
MBTD1 Q05BQ5 1/20 0.32
L3MBTL3 Q96JM7 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
SCHEMBL3014529 0.94 NPC1 (0.35) DNM1LGBA1NPC1RAB9AKMT2A
SCHEMBL3008108 0.91 GBA1 (0.35) DNM1LGBA1NPC1RAB9AKMT2A
SCHEMBL3013064 0.91 NPC1 (0.35) DNM1LGBA1NPC1RAB9AKMT2A
SCHEMBL3021138 0.90 GBA1 (0.39) DNM1LGBA1NPC1RAB9AKMT2A
SCHEMBL3002356 0.89 GPR6 (0.40) NPC1RAB9ALMNAHTR2A
SCHEMBL3017652 0.89 RAB9A (0.39) DNM1LGBA1NPC1RAB9AKMT2A
SCHEMBL2999879 0.89 PSMD14 (0.37) KMT2AMEN1
SCHEMBL3011257 0.87 TP53 (0.35) DNM1LGBA1NPC1RAB9AKMT2A
SCHEMBL3001014 0.87 HTR2A (0.41) DNM1LGBA1NPC1RAB9AKMT2A
SCHEMBL3016146 0.87 CTSS (0.45) GBA1NPC1RAB9AKMT2AMEN1

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 DNM1L 180/4885GBA1 4/4885NPC1 15/4885

“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.