SCHEMBL3016262

SCHEMBL3016262

CCCc1ccc(Cc2csc(N3CCC(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.36
HTR2C P28335 3/20 0.36
KCNH2 Q12809 2/20 0.36
DRD2 P14416 2/20 0.36
TRPV1 Q8NER1 1/20 0.34
SCN1A P35498 1/20 0.33
SCN8A Q9UQD0 1/20 0.33
CYP19A1 P11511 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ADAMTS5 Q9UNA0 2/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR2 Q9HBW0 1/20 0.32
HTR7 P34969 1/20 0.32
HTR6 P50406 1/20 0.32
KIT P10721 1/20 0.32
SOS1 Q07889 1/20 0.32

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
SCHEMBL3020208 0.93 DRD2 (0.35) HTR2AHTR2CKCNH2DRD2TRPV1
SCHEMBL3022148 0.92 LMNA (0.36) HTR2AHTR2CL3MBTL1ADAMTS5HTR7
SCHEMBL3018344 0.92 HTR2A (0.41) HTR2AHTR2CKCNH2DRD2TRPV1
SCHEMBL3002470 0.91 TP53 (0.38) HTR2AHTR2CKCNH2DRD2TRPV1
SCHEMBL3009255 0.91 HTR2A (0.37) HTR2AHTR2CKCNH2DRD2TRPV1
SCHEMBL3013788 0.89 HTR2A (0.39) HTR2AHTR2CKCNH2DRD2CYP19A1
SCHEMBL3014991 0.89 CACNA1G (0.36) HTR2AHTR2CKCNH2DRD2TRPV1
SCHEMBL3012962 0.89 AOC3 (0.34) HTR2AHTR2CKCNH2SMN1; SMN2MEN1
SCHEMBL3008157 0.89 HTR2A (0.37) HTR2AHTR2CKCNH2DRD2TRPV1
SCHEMBL3016706 0.89 MAPT (0.37) HTR2AHTR2CKCNH2DRD2SMN1; 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.