SCHEMBL2200197

SCHEMBL2200197

O=C1NCC(c2ccc([N+](=O)[O-])cc2)N1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
RECQL P46063 1/20 0.47
ALDH1A1 P00352 4/20 0.45
POLB P06746 1/20 0.45
GAA P10253 3/20 0.43
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
METAP1 P53582 1/20 0.37
ACHE P22303 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CRYZ Q08257 1/20 0.37
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36

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
SCHEMBL10922465 0.78 LMNA (0.50) LMNARECQLALDH1A1POLBGAA
SCHEMBL23728273 0.78 LMNA (0.45) LMNARECQLALDH1A1POLBGAA
SCHEMBL6829724 0.78 GAA (0.48) LMNARECQLALDH1A1POLBGAA
SCHEMBL23727989 0.78 LMNA (0.45) LMNARECQLALDH1A1POLBGAA
SCHEMBL21121198 0.77 LMNA (0.50) LMNARECQLALDH1A1POLBGAA
SCHEMBL19587006 0.75 ALDH1A1 (0.40) LMNAALDH1A1GAAKMT2AMEN1
SCHEMBL27761702 0.75 NOTUM (0.37) POLBGAAKMT2AMAPT
SCHEMBL27898379 0.75 CYP19A1 (0.41) KMT2AMEN1MAPT
SCHEMBL31324258 0.75 ESR2 (0.44) ALDH1A1KMT2AMEN1KDM4EHSD17B10
SCHEMBL10041515 0.74 NOS1 (0.49) ALDH1A1GAAKMT2AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977334-B2 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity modulator, insulin resistance BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-12 US disclosed
US-20080234278-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions TRIESELMANN THOMAS 2008-09-25 US disclosed
EP-1781620-A1 NOVEL BETA AGONISTS, METHOD FOR PRODUCING THE SAME AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-09 EP disclosed
WO-2005108373-A1 NOVEL BETA AGONISTS, METHOD FOR PRODUCING THE SAME AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-17 WO disclosed
US-20050245526-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 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 (2 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-20080234278-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions ADRB1, ADRB3, ADRB2 LMNA 966/4885RECQL 2118/4885ALDH1A1 674/4885
US-20050245526-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions ADRB1, ADRB3, ADRB2 LMNA 966/4885RECQL 2118/4885ALDH1A1 674/4885

“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.