SCHEMBL3020046

SCHEMBL3020046

O=S(=O)(c1ccc(F)cc1)C1CCN(c2nc(Cc3cc(F)cc(F)c3)cs2)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.42
HTR2C P28335 7/20 0.42
KCNH2 Q12809 7/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GPR6 P46095 2/20 0.38
MAPK1 P28482 2/20 0.38
ALOX5 P09917 1/20 0.38
DRD2 P14416 4/20 0.37
USP2 O75604 1/20 0.37
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.37
HSD17B10 Q99714 1/20 0.37
EPHX2 P34913 1/20 0.37
HRH3 Q9Y5N1 1/20 0.35
AR P10275 1/20 0.35

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
SCHEMBL3012543 0.93 HTR2A (0.41) HTR2AHTR2CKCNH2L3MBTL1SMN1; SMN2
SCHEMBL3015772 0.93 HTR2A (0.44) HTR2AHTR2CKCNH2L3MBTL1SMN1; SMN2
SCHEMBL3013102 0.93 GBA1 (0.41) HTR2AHTR2CKCNH2L3MBTL1SMN1; SMN2
SCHEMBL3016374 0.93 SMN1; SMN2 (0.37) HTR2AHTR2CKCNH2L3MBTL1SMN1; SMN2
SCHEMBL3013242 0.92 HTR2A (0.35) HTR2AHTR2CKCNH2L3MBTL1SMN1; SMN2
SCHEMBL3022162 0.92 HTR2A (0.42) HTR2AHTR2CKCNH2L3MBTL1SMN1; SMN2
SCHEMBL3019220 0.91 SMN1; SMN2 (0.40) HTR2AHTR2CKCNH2L3MBTL1SMN1; SMN2
SCHEMBL3000716 0.90 POLB (0.40) HTR2AHTR2CKCNH2L3MBTL1SMN1; SMN2
SCHEMBL3006919 0.90 ALDH1A1 (0.35) HTR2AHTR2CKCNH2L3MBTL1SMN1; SMN2
SCHEMBL3015982 0.90 HTR2A (0.44) HTR2AHTR2CKCNH2L3MBTL1SMN1; SMN2

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.