SCHEMBL3013064

SCHEMBL3013064

Cc1cccc(C)c1Cc1csc(N2CCC(S(=O)(=O)c3cccc(Br)c3)CC2)n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
KMT2A Q03164 3/20 0.34
DNM1L O00429 7/20 0.33
GBA1 P04062 1/20 0.33
MBTD1 Q05BQ5 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
MEN1 O00255 2/20 0.32
DRD2 P14416 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
HTR7 P34969 2/20 0.32
HTR1A P08908 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
DRD3 P35462 1/20 0.32
HTR6 P50406 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
SCHEMBL3011257 0.94 TP53 (0.35) NPC1RAB9AKMT2ADNM1LGBA1
SCHEMBL3017287 0.91 DNM1L (0.34) NPC1RAB9AKMT2ADNM1LGBA1
SCHEMBL3000622 0.90 RAB9A (0.37) NPC1RAB9AKMT2ADNM1LGBA1
SCHEMBL3014529 0.90 NPC1 (0.35) NPC1RAB9AKMT2ADNM1LGBA1
SCHEMBL3023017 0.89 ALDH1A1 (0.43) NPC1RAB9ADRD2SMN1; SMN2LMNA
SCHEMBL3001213 0.89 RAB9A (0.40) NPC1RAB9ADNM1LGBA1SMN1; SMN2
SCHEMBL3003523 0.88 HTR2A (0.38) NPC1RAB9AKMT2ADNM1LMBTD1
SCHEMBL3007647 0.88 KMT2A (0.34) NPC1RAB9AKMT2ADNM1LGBA1
SCHEMBL3002917 0.88 KMT2A (0.35) NPC1RAB9AKMT2ADNM1LGBA1
SCHEMBL3007182 0.88 GBA1 (0.38) NPC1RAB9AKMT2ADNM1LGBA1

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 NPC1 15/4885RAB9A 2943/4885KMT2A 2680/4885

“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.