SCHEMBL3021337

SCHEMBL3021337

O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)C1CCN(c2nc(Cc3ccccc3)cs2)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR2A P28223 3/20 0.37
DNM1L O00429 3/20 0.36
KCNH2 Q12809 2/20 0.36
HTR2C P28335 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HRH4 Q9H3N8 2/20 0.34
HRH3 Q9Y5N1 1/20 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
SCHEMBL3013308 0.91 NPC1 (0.42) NPC1RAB9ASMN1; SMN2MEN1LMNA
SCHEMBL3015850 0.90 MAPT (0.39) NPC1RAB9ASMN1; SMN2LMNAMAPK1
SCHEMBL3009601 0.90 SMN1; SMN2 (0.39) NPC1RAB9ASMN1; SMN2MAPK1KMT2A
SCHEMBL3013007 0.90 HRH3 (0.35) NPC1RAB9ASMN1; SMN2MEN1LMNA
SCHEMBL3010428 0.89 KMT2A (0.34) NPC1RAB9ASMN1; SMN2MEN1LMNA
SCHEMBL3013912 0.88 DNM1L (0.37) NPC1RAB9ASMN1; SMN2DNM1L
SCHEMBL3014091 0.88 AOC3 (0.35) NPC1RAB9ASMN1; SMN2MEN1LMNA
SCHEMBL3018251 0.87 HRH3 (0.34) NPC1RAB9ASMN1; SMN2MAPK1DNM1L
SCHEMBL3008978 0.87 RAB9A (0.41) NPC1RAB9ASMN1; SMN2MEN1LMNA
SCHEMBL3016410 0.87 CACNA1G (0.37) NPC1RAB9ASMN1; SMN2LMNAMAPK1

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.