SCHEMBL3620384

SCHEMBL3620384

CN1CCN(c2cc([N+](=O)[O-])cc3ccoc23)CC1.Nc1cc(N2CCN(C(=O)O)CC2)c2occc2c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
GAA P10253 3/20 0.41
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 4/20 0.40
POLB P06746 4/20 0.40
WDR5 P61964 3/20 0.40
HRH4 Q9H3N8 3/20 0.39
MEN1 O00255 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL1066398 0.90 MAPT (0.44) ALDH1A1LMNAPOLBMAPT
SCHEMBL5988593 0.88 ALDH1A1 (0.50) ALDH1A1LMNAMAPT
SCHEMBL3626555 0.85 SIRT6 (0.49) ALDH1A1GAALMNAKMT2APOLB
SCHEMBL1064215 0.85 NCF1 (0.39) ALDH1A1GAALMNACYP2C9CYP2C19
SCHEMBL5988931 0.82 GAA (0.44) ALDH1A1GAALMNAKMT2AMEN1
SCHEMBL3620002 0.79 KDM4E (0.46) ALDH1A1GAAL3MBTL1KMT2APOLB
SCHEMBL1064174 0.76 MAPT (0.60) ALDH1A1LMNAPOLBMAPT
SCHEMBL1064192 0.76 GAA (0.48) ALDH1A1GAALMNAL3MBTL1KMT2A
SCHEMBL1059332 0.75 GAA (0.50) ALDH1A1GAALMNAKMT2APOLB
SCHEMBL1059641 0.74 ALDH1A1 (0.50) ALDH1A1LMNAL3MBTL1KMT2AMEN1

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 ALDH1A1 363/4885GAA 424/4885LMNA 3860/4885
US-20070066598-A1 Compounds SULT2A1, STS, SLC5A2 ALDH1A1 262/4885GAA 285/4885LMNA 3321/4885
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 ALDH1A1 401/4885GAA 927/4885LMNA 3411/4885
US-20070066600-A1 Compounds SULT2A1, STS, SLC5A2 ALDH1A1 262/4885GAA 285/4885LMNA 3321/4885
US-20100222330-A1 New Compounds SULT2A1, GPR119, STS ALDH1A1 363/4885GAA 424/4885LMNA 3860/4885

“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.