SCHEMBL3620784

SCHEMBL3620784

O=C(O)N1CCN(c2ccc([N+](=O)[O-])c3ccccc23)CC1.O=[N+]([O-])c1ccc(Cl)c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.60
AR P10275 1/20 0.60
MTOR P42345 1/20 0.49
RAB9A P51151 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.49
SMN1; SMN2 Q16637 7/20 0.48
KMT2A Q03164 6/20 0.48
L3MBTL1 Q9Y468 5/20 0.48
MEN1 O00255 4/20 0.48
MAPT P10636 10/20 0.48
ALDH1A1 P00352 8/20 0.48
LMNA P02545 6/20 0.48
MAPK1 P28482 2/20 0.46
GAA P10253 2/20 0.46
HSP90AA1 P07900 1/20 0.46
GRM5 P41594 1/20 0.44
HTT P42858 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL3624869 0.93 CTSB (0.69) CTSBARMTORRAB9ASIRT2
SCHEMBL4526192 0.76 GRM5 (0.67) SMN1; SMN2KMT2AL3MBTL1MEN1MAPT
SCHEMBL7463269 0.76 CTSB (0.60) CTSBARMTORRAB9ASIRT2
SCHEMBL3603749 0.76 CTSB (1.00) CTSBARSMN1; SMN2KMT2AL3MBTL1
SCHEMBL1379532 0.76 TDP1 (0.61) CTSBARKMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL6761253 0.75 CTSB (0.59) CTSBARMTORRAB9ASIRT2
SCHEMBL22858551 0.75 CTSB (0.75) CTSBARRAB9ASMN1; SMN2KMT2A
SCHEMBL29577374 0.75 CTSB (0.75) CTSBARRAB9ASMN1; SMN2KMT2A
SCHEMBL5240888 0.75 CTSB (0.66) CTSBARKMT2AL3MBTL1MAPT
SCHEMBL3598358 0.75 CTSB (0.97) CTSBARSMN1; SMN2KMT2AL3MBTL1

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 7 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
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 CTSB 1810/4885AR 2362/4885MTOR 341/4885
US-20070066598-A1 Compounds SULT2A1, STS, SLC5A2 CTSB 1626/4885AR 2238/4885MTOR 360/4885
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 2960/4885MTOR 512/4885
US-20070066600-A1 Compounds SULT2A1, STS, SLC5A2 CTSB 1626/4885AR 2238/4885MTOR 360/4885
US-20100222330-A1 New Compounds SULT2A1, GPR119, STS CTSB 1810/4885AR 2362/4885MTOR 341/4885

“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.