SCHEMBL3013308

SCHEMBL3013308

O=S(=O)(c1c(F)cccc1F)C1CCN(c2nc(Cc3ccccc3)cs2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
AR P10275 2/20 0.41
PKM P14618 1/20 0.37
PKLR P30613 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR2A P28223 3/20 0.36
DNM1L O00429 2/20 0.35
KCNH2 Q12809 2/20 0.35
HTR2C P28335 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HRH4 Q9H3N8 2/20 0.34

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
SCHEMBL3001952 0.91 AR (0.39) NPC1RAB9ASMN1; SMN2ARPKM
SCHEMBL3015429 0.91 AR (0.41) NPC1RAB9ASMN1; SMN2ARPKM
SCHEMBL3016154 0.91 AR (0.41) NPC1RAB9ASMN1; SMN2ARPKM
SCHEMBL3021337 0.91 NPC1 (0.39) NPC1RAB9ASMN1; SMN2MEN1LMNA
SCHEMBL3010387 0.90 AR (0.39) NPC1RAB9ASMN1; SMN2ARPKM
SCHEMBL3018628 0.90 AR (0.40) NPC1RAB9ASMN1; SMN2ARPKM
SCHEMBL3003782 0.89 AR (0.40) NPC1RAB9ASMN1; SMN2ARPKM
SCHEMBL3016869 0.89 AR (0.40) NPC1RAB9ASMN1; SMN2ARPKM
SCHEMBL3007273 0.89 AR (0.39) NPC1RAB9ASMN1; SMN2ARPKM
SCHEMBL3022973 0.89 AR (0.39) NPC1RAB9ASMN1; SMN2ARPKM

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 2943/4885SMN1; SMN2 1/4885

“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.