SCHEMBL3011396

SCHEMBL3011396

O=S(=O)(c1ccc(CBr)cc1)C1CCN(c2nc(Cc3ccc(F)c(F)c3)cs2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 2/20 0.35
CACNA1H O95180 2/20 0.35
CACNA1I Q9P0X4 2/20 0.35
HTR2A P28223 6/20 0.35
HTR2C P28335 5/20 0.35
KCNH2 Q12809 5/20 0.35
DRD2 P14416 3/20 0.35
NAMPT P43490 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LDHA P00338 2/20 0.32
LDHB P07195 2/20 0.32
SPR P35270 1/20 0.32
DNM1L O00429 1/20 0.32
RIPK1 Q13546 1/20 0.32
CYP2C9 P11712 1/20 0.31

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
SCHEMBL3015207 0.93 SMN1; SMN2 (0.36) CACNA1GCACNA1HCACNA1IHTR2AHTR2C
SCHEMBL3014406 0.92 HTR2A (0.42) CACNA1GCACNA1HCACNA1IHTR2AHTR2C
SCHEMBL3018731 0.92 HTR2A (0.37) HTR2AHTR2CKCNH2DRD2SMN1; SMN2
SCHEMBL3017935 0.92 HTR2A (0.35) HTR2AHTR2CKCNH2DRD2NAMPT
SCHEMBL3017566 0.91 HTR2A (0.43) CACNA1GCACNA1HCACNA1IHTR2AHTR2C
SCHEMBL3012637 0.91 GBA1 (0.40) CACNA1GCACNA1HCACNA1IHTR2AHTR2C
SCHEMBL3013242 0.90 HTR2A (0.35) HTR2AHTR2CKCNH2DRD2NAMPT
SCHEMBL3011752 0.89 CACNA1G (0.38) CACNA1GCACNA1HCACNA1IHTR2AHTR2C
SCHEMBL3003904 0.89 HTR2A (0.34) HTR2AHTR2CKCNH2DRD2NAMPT
SCHEMBL3009616 0.88 CACNA1G (0.35) CACNA1GCACNA1HCACNA1IHTR2AHTR2C

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 CACNA1G 3093/4885CACNA1H 3804/4885CACNA1I 2345/4885

“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.