SCHEMBL3022816

SCHEMBL3022816

O=S(=O)(c1cc(Cl)cc(Cl)c1)C1CCN(c2nc(Cc3cc(F)cc(F)c3)cs2)CC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.35
HTR2C P28335 2/20 0.35
KCNH2 Q12809 2/20 0.35
DRD2 P14416 1/20 0.35
HRH3 Q9Y5N1 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32
EPHX2 P34913 1/20 0.32
RIPK1 Q13546 1/20 0.32
GRM5 P41594 1/20 0.32
SLC13A5 Q86YT5 1/20 0.32
CTSS P25774 3/20 0.32
MAPK1 P28482 1/20 0.31
DNM1L O00429 2/20 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
SCHEMBL3008584 0.97 DRD2 (0.34) HTR2AHTR2CKCNH2DRD2HRH3
SCHEMBL3021485 0.93 MAPT (0.35) HTR2AHTR2CKCNH2DRD2HRH3
SCHEMBL3015772 0.92 HTR2A (0.44) HTR2AHTR2CKCNH2DRD2SMN1; SMN2
SCHEMBL3011622 0.91 RAB9A (0.39) HTR2AHTR2CKCNH2DRD2SMN1; SMN2
SCHEMBL3012543 0.90 HTR2A (0.41) HTR2AHTR2CKCNH2DRD2SMN1; SMN2
SCHEMBL3011143 0.90 HTR2A (0.43) HTR2AHTR2CKCNH2DRD2SMN1; SMN2
SCHEMBL3015977 0.90 RAB9A (0.38) HTR2AHTR2CKCNH2DRD2SMN1; SMN2
SCHEMBL3008184 0.89 HTR2A (0.38) HTR2AHTR2CKCNH2DRD2SMN1; SMN2
SCHEMBL3022162 0.89 HTR2A (0.42) HTR2AHTR2CKCNH2DRD2SMN1; SMN2
SCHEMBL3020046 0.89 HTR2A (0.42) HTR2AHTR2CKCNH2DRD2HRH3

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.