SCHEMBL3624869

SCHEMBL3624869

O=C(O)N1CCN(c2ccc([N+](=O)[O-])c3ccccc23)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 3/20 0.69
AR P10275 2/20 0.69
MAPT P10636 9/20 0.51
ALDH1A1 P00352 5/20 0.51
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MTOR P42345 1/20 0.49
RAB9A P51151 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.49
GRM5 P41594 1/20 0.49
HTT P42858 1/20 0.48
TNNI3 P19429 1/20 0.47
TNNT2 P45379 1/20 0.47
TNNC1 P63316 1/20 0.47
KMT2A Q03164 2/20 0.46
MAPK1 P28482 3/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL3620784 0.93 CTSB (0.60) CTSBARMAPTALDH1A1LMNA
SCHEMBL4526192 0.82 GRM5 (0.67) MAPTALDH1A1LMNASMN1; SMN2GRM5
SCHEMBL7463269 0.82 CTSB (0.60) CTSBARMAPTALDH1A1LMNA
SCHEMBL3603749 0.82 CTSB (1.00) CTSBARMAPTALDH1A1LMNA
Hydrochloric Acid SCHEMBL6761253 0.81 CTSB (0.59) CTSBARMAPTALDH1A1LMNA
SCHEMBL29577374 0.81 CTSB (0.75) CTSBARMAPTALDH1A1LMNA
SCHEMBL22858551 0.81 CTSB (0.75) CTSBARMAPTALDH1A1LMNA
SCHEMBL5240888 0.81 CTSB (0.66) CTSBARMAPTALDH1A1HTT
SCHEMBL3598358 0.81 CTSB (0.97) CTSBARMAPTALDH1A1LMNA
SCHEMBL2711827 0.78 CTSB (0.75) CTSBARMAPTALDH1A1LMNA

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 CTSB 1810/4885AR 2362/4885MAPT 3274/4885
US-20070066598-A1 Compounds SULT2A1, STS, SLC5A2 CTSB 1626/4885AR 2238/4885MAPT 3055/4885
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 CTSB 3013/4885AR 2960/4885MAPT 1761/4885
US-20070066600-A1 Compounds SULT2A1, STS, SLC5A2 CTSB 1626/4885AR 2238/4885MAPT 3055/4885
US-20100222330-A1 New Compounds SULT2A1, GPR119, STS CTSB 1810/4885AR 2362/4885MAPT 3274/4885

“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.