SCHEMBL3017935

SCHEMBL3017935

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.35
HTR2C P28335 3/20 0.35
KCNH2 Q12809 3/20 0.35
DRD2 P14416 2/20 0.35
PROKR1 Q8TCW9 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
FPR2 P25090 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 1/20 0.33
EPHX2 P34913 1/20 0.33
NAMPT P43490 2/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
MAPT P10636 1/20 0.32
DRD4 P21917 3/20 0.31
SIGMAR1 Q99720 3/20 0.31
TMEM97 Q5BJF2 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
SCHEMBL3018731 0.93 HTR2A (0.37) HTR2AHTR2CKCNH2DRD2SMN1; SMN2
SCHEMBL3010530 0.93 HTR2A (0.35) HTR2AHTR2CKCNH2DRD2PROKR1
SCHEMBL3007239 0.93 HTR2A (0.40) HTR2AHTR2CKCNH2DRD2PROKR1
SCHEMBL3011420 0.93 HTR2A (0.42) HTR2AHTR2CKCNH2DRD2PROKR1
SCHEMBL3009192 0.92 LMNA (0.37) HTR2AHTR2CKCNH2DRD2SMN1; SMN2
SCHEMBL3011396 0.92 CACNA1G (0.35) HTR2AHTR2CKCNH2DRD2SMN1; SMN2
SCHEMBL3016901 0.91 GBA1 (0.39) HTR2AHTR2CKCNH2DRD2PROKR1
SCHEMBL3014833 0.91 L3MBTL1 (0.35) HTR2AHTR2CKCNH2DRD2PROKR1
SCHEMBL3004485 0.90 HTR2A (0.36) HTR2AHTR2CKCNH2DRD2PROKR1
SCHEMBL3015894 0.90 MAPT (0.35) HTR2AHTR2CKCNH2DRD2PROKR1

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 HTR2A 752/4885HTR2C 1153/4885KCNH2 3130/4885

“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.