SCHEMBL3621444

SCHEMBL3621444

CN1CCCN(c2ccc(NS(=O)(=O)c3cccc(F)c3)c3ccccc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.50
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
PKM P14618 2/20 0.46
RAD52 P43351 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 1/20 0.45
MCOLN3 Q8TDD5 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTR6 P50406 7/20 0.44
HTR2A P28223 2/20 0.44
KEAP1 Q14145 2/20 0.44
NFE2L2 Q16236 2/20 0.44
ALDH1A1 P00352 1/20 0.42
MGAT2 Q10469 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
SCHEMBL3616331 0.88 LMNA (0.48) KMT2APKMRAD52LMNASMN1; SMN2
SCHEMBL1377654 0.80 LMNA (0.46) PKMLMNASMN1; SMN2HTR6HTR2A
SCHEMBL3618341 0.77 RAD52 (0.64) BRD4POLBKMT2APKMRAD52
Hydrochloric Acid SCHEMBL3619845 0.76 RAD52 (0.65) BRD4POLBKMT2APKMRAD52
SCHEMBL3621908 0.74 RAD52 (0.60) BRD4POLBKMT2APKMRAD52
SCHEMBL3626233 0.72 HTR6 (0.52) BRD4KMT2ARAD52LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL1381800 0.72 HTR6 (0.51) BRD4KMT2ARAD52LMNASMN1; SMN2
SCHEMBL1379202 0.71 HTR6 (0.45) KMT2APKMLMNASMN1; SMN2HTR6
Hydrochloric Acid SCHEMBL3617007 0.71 RAD52 (0.59) BRD4POLBKMT2APKMRAD52
SCHEMBL27513811 0.71 HTR6 (0.69) BRD4POLBKMT2APKMRAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1412325-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS, PROCESS FOR THEIR USE AS MEDICAMENT FOR THE TREATMENT OF CNS DISORDERS, OBESITY AND TYPE II DIABETES BIOVITRUM AB (SE) 2004-04-28 EP 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
WO-2002100822-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS, PROCESS FOR THEIR USE AS MEDICAMENT FOR THE TREATMENT OF CNS DISORDERS, OBESITY AND TYPE II DIABETES BIOVITRUM AB (SE) 2002-12-19 WO 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 BRD4 2761/4885POLB 4287/4885KMT2A 2359/4885
US-20070066598-A1 Compounds SULT2A1, STS, SLC5A2 BRD4 2904/4885POLB 4217/4885KMT2A 1776/4885
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 BRD4 301/4885POLB 3763/4885KMT2A 1435/4885
US-20070066600-A1 Compounds SULT2A1, STS, SLC5A2 BRD4 2904/4885POLB 4217/4885KMT2A 1776/4885
US-20100222330-A1 New Compounds SULT2A1, GPR119, STS BRD4 2761/4885POLB 4287/4885KMT2A 2359/4885

“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.