SCHEMBL3019905

SCHEMBL3019905

O=[N+]([O-])c1ccc(S(=O)(=O)C2CCN(c3nc(-c4cc(F)cc(F)c4)cs3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.54
RAB9A P51151 6/20 0.54
POLB P06746 2/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
SMN1; SMN2 Q16637 9/20 0.49
MAPT P10636 5/20 0.49
L3MBTL1 Q9Y468 4/20 0.47
ALDH1A1 P00352 3/20 0.47
AR P10275 4/20 0.46
MAPK1 P28482 2/20 0.43
USP2 O75604 1/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL3005704 0.94 SMN1; SMN2 (0.52) NPC1RAB9APOLBKMT2AMEN1
SCHEMBL3011174 0.91 RAB9A (0.46) NPC1RAB9APOLBKMT2AMEN1
SCHEMBL3010506 0.90 SMN1; SMN2 (0.57) NPC1RAB9APOLBKMT2AMEN1
SCHEMBL3007916 0.89 SMN1; SMN2 (0.58) NPC1RAB9APOLBKMT2AMEN1
SCHEMBL3021995 0.89 RAB9A (0.55) NPC1RAB9APOLBKMT2AMEN1
SCHEMBL3014911 0.88 NPC1 (0.54) NPC1RAB9APOLBKMT2AMEN1
SCHEMBL3012288 0.87 SMN1; SMN2 (0.49) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL3017457 0.87 SMN1; SMN2 (0.51) NPC1RAB9APOLBKMT2AMEN1
SCHEMBL3004593 0.87 MEN1 (0.60) NPC1RAB9APOLBKMT2AMEN1
SCHEMBL3016086 0.87 SMN1; SMN2 (0.51) NPC1RAB9APOLBKMT2AMEN1

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 2943/4885POLB 4649/4885

“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.