SCHEMBL3616367

SCHEMBL3616367

O=S(=O)(Nc1cc2cccnc2c(N2CCNCC2)n1)c1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 12/20 0.51
▸ HTR2C P28335 3/20 0.46
▸ PRKD1 Q15139 1/20 0.44
▸ HTR1A P08908 2/20 0.43
▸ HTR2B P41595 2/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ HSD11B1 P28845 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ GFER P55789 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ HTR1D P28221 1/20 0.41
▸ HTR1B P28222 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ THPO P40225 1/20 0.41

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
Trifluoroacetic Acid SCHEMBL1380631 0.92 HTR6 (0.45) HTR6HTR2CPRKD1HTR1AHTR2B
SCHEMBL7045097 0.85 SLC40A1 (0.49) HTR6HTR2CPRKD1HTR1AHTR7
SCHEMBL1377405 0.82 SLC40A1 (0.54) HTR6PRKD1HTR1AHTR7HSD11B1
SCHEMBL7045566 0.82 PRKD1 (0.49) HTR6HTR2CPRKD1HTR1AHTR7
SCHEMBL1379328 0.81 TDP1 (0.50) HTR6PRKD1MEN1KMT2AGFER
SCHEMBL3616470 0.81 MEN1 (0.50) HTR6HTR2CPRKD1HTR1AHTR7
SCHEMBL1380555 0.80 NFKBIA (0.51) HTR2CPRKD1HTR2ASLC6A4MEN1
SCHEMBL3623702 0.80 SLC40A1 (0.58) HTR6HTR2CPRKD1HSD11B1HTR1D
SCHEMBL1380902 0.80 GLO1 (0.51) HTR6HTR2CPRKD1HTR1AHTR7
SCHEMBL3627476 0.77 MEN1 (0.53) HTR6HTR7MEN1KMT2A

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 10 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-20070066598-A1 Compounds BIOVITRUM AB, A SWEDEN CORPORATION 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
US-20100222330-A1 New Compounds BIOVITRUM AB (SE) 2010-09-02 — — US disclosed
US-7572787-B2 Substituted naphthalene sulfonamides BIOVITRUM AB (SE) 2009-08-11 — — US disclosed
US-20070066598-A1 Compounds BIOVITRUM AB, A SWEDEN CORPORATION 2007-03-22 — — US disclosed
US-20070066599-A1 New compounds BIOVITRUM AB, A SWEDEN CORPORATION 2007-03-22 — — US disclosed
US-20070066600-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2007-03-22 — — US disclosed
US-7144883-B2 Bicyclic sulfonamide compounds BIOVITRUM AB (SE) 2006-12-05 — — US disclosed
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 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 (5 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-20070066599-A1 New compounds SULT2A1, GPR119, STS HTR6 1659/4885HTR2C 1517/4885PRKD1 4439/4885
US-20070066598-A1 Compounds SULT2A1, STS, SLC5A2 HTR6 1213/4885HTR2C 1202/4885PRKD1 4705/4885
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 2369/4885HTR2C 642/4885PRKD1 4604/4885
US-20070066600-A1 Compounds SULT2A1, STS, SLC5A2 HTR6 1213/4885HTR2C 1202/4885PRKD1 4705/4885
US-20100222330-A1 New Compounds SULT2A1, GPR119, STS HTR6 1659/4885HTR2C 1517/4885PRKD1 4439/4885

“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.

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