Sugi Predict

Sugi Predict / Compounds / SCHEMBL3655977

SCHEMBL3655977

SCHEMBL3655977

CN(c1ccc2ccccc2c1)S(=O)(=O)c1ccc(N2CCNCC2)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 12/20 0.53
▸ HTT P42858 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HTR5A P47898 3/20 0.44
▸ HTR1A P08908 2/20 0.44
▸ HTR2A P28223 2/20 0.44
▸ HTR7 P34969 2/20 0.44
▸ HTR3E A5X5Y0 2/20 0.44
▸ HTR3B O95264 2/20 0.44
▸ HTR3A P46098 2/20 0.44
▸ HTR3D Q70Z44 2/20 0.44
▸ HTR3C Q8WXA8 2/20 0.44
▸ SIGMAR1 Q99720 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ NCF1 P14598 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ HTR1D P28221 1/20 0.44

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
SCHEMBL1381920 0.86 HTR6 (0.50) HTR6HTR5AHTR1AHTR2AHTR7
SCHEMBL1378745 0.85 HTR6 (0.56) HTR6HTR5AHTR1AHTR2AHTR7
SCHEMBL1377014 0.85 HTR6 (0.51) HTR6
SCHEMBL1379064 0.85 HTR6 (0.53) HTR6L3MBTL1HTR1AHTR7HTR3E
SCHEMBL1383346 0.84 HTR6 (0.55) HTR6HTR5AHTR1AHTR2AHTR7
SCHEMBL1380036 0.83 HTR6 (0.56) HTR6HTR5AHTR1AHTR2AHTR7
SCHEMBL1381952 0.81 HTR6 (0.49) HTR6HTR5AHTR1AHTR2AHTR7
SCHEMBL1376935 0.81 HTR6 (0.49) HTR6HTR5AHTR1AHTR2AHTR7
SCHEMBL1380282 0.79 HTR6 (0.56) HTR6HTR5AHTR1AHTR2AHTR7
SCHEMBL1377664 0.76 HTR6 (0.53) HTR6HTR5AHTR1AHTR2AHTR7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222330-A1 New Compounds BIOVITRUM AB (SE) 2010-09-02 — — US claimed
US-7572787-B2 Substituted naphthalene sulfonamides BIOVITRUM AB (SE) 2009-08-11 — — US claimed
US-20070066600-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2007-03-22 — — US claimed
US-20030158202-A1 Substituted fused ring sulfonamides containing, e.g., naphthalene, isoquinoline, quinoline, benzofuran or benzothiophene rings; treatment of conditions relating to obesity, type II diabetes and CNS disorders PROXIMAGEN NEUROSCIENCE PLC (GB) 2003-08-21 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20030158202-A1 Substituted fused ring sulfonamides containing, e.g., naphthalene, isoquinoline, quinoline, benzofuran or benzothiophene rings; treatment of conditions relating to obesity, type II diabetes and CNS disorders SULT2A1, SULT1A1, SULT1E1 HTR6 2369/4885HTT 816/4885NPSR1 88/4885
US-20070066600-A1 Compounds SULT2A1, STS, SLC5A2 HTR6 1213/4885HTT 1365/4885NPSR1 29/4885
US-20100222330-A1 New Compounds SULT2A1, GPR119, STS HTR6 1659/4885HTT 1789/4885NPSR1 26/4885

“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.