SCHEMBL539130

SCHEMBL539130

O=c1cc(OCc2ccccc2)ccn1-c1ccc2cnn(CCN3CCCC3)c2c1

nearest known ligand 0.86

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 20/20 0.86
KCNH2 Q12809 15/20 0.86
CYP3A4 P08684 3/20 0.86
MCHR2 Q969V1 2/20 0.60

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
SCHEMBL539304 0.93 MCHR1 (1.00) MCHR1KCNH2CYP3A4MCHR2
Hydrochloric Acid SCHEMBL2966575 0.92 MCHR1 (0.98) MCHR1KCNH2CYP3A4MCHR2
SCHEMBL2962727 0.92 MCHR1 (0.98) MCHR1KCNH2CYP3A4MCHR2
Hydrochloric Acid SCHEMBL2959155 0.91 MCHR1 (0.96) MCHR1KCNH2CYP3A4MCHR2
SCHEMBL12340004 0.88 MCHR1 (0.90) MCHR1KCNH2CYP3A4MCHR2
Hydrochloric Acid SCHEMBL2961905 0.87 MCHR1 (0.88) MCHR1KCNH2CYP3A4
SCHEMBL12339969 0.86 MCHR1 (0.85) MCHR1KCNH2CYP3A4MCHR2
SCHEMBL12339975 0.86 MCHR1 (0.88) MCHR1KCNH2CYP3A4MCHR2
Hydrochloric Acid SCHEMBL2959721 0.86 MCHR1 (0.87) MCHR1KCNH2CYP3A4MCHR2
SCHEMBL12340044 0.85 MCHR1 (0.86) MCHR1KCNH2CYP3A4MCHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273770-B2 5-pyridinone substituted indazoles ALBANY MOLECULAR RESEARCH, INC. (US) 2012-09-25 US disclosed
US-8268868-B2 5-pyridinone substituted indazoles ALBANY MOLECULAR RESEARCH, INC. (US) 2012-09-18 US disclosed
EP-2176251-B1 5-pyridinone substituted indazoles and pharmaceutical compositions thereof ALBANY MOLECULAR RES INC (US) 2012-02-08 EP disclosed
US-20100105679-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2010-04-29 US disclosed
EP-2176251-A2 5-PYRIDINONE SUBSTITUTED INDAZOLES Albany Molecular Research, Inc. (US) 2010-04-21 EP disclosed
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative MSD K.K. (JP) 2009-10-22 US disclosed
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative MSD K.K. (JP) 2009-10-22 US disclosed
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative MSD K.K. (JP) 2009-10-22 US disclosed
US-20090082359-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES AMR TECHNOLOGY, INC. (US) 2009-03-26 US disclosed
WO-2009015037-A2 5-PYRIDINONE SUBSTITUTED INDAZOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2009-01-29 WO disclosed
EP-1939194-A1 BICYCLIC AROMATIC SUBSTITUTED PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-02 EP 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 (3 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-20100105679-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES CYP3A5, PDXK, PNPO MCHR1 4525/4885KCNH2 917/4885CYP3A4 8/4885
US-20090082359-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES CYP3A5, PNPO, NDUFS3 MCHR1 4349/4885KCNH2 1170/4885CYP3A4 62/4885
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative PYCR1, CHRM1, MTR MCHR1 357/4885KCNH2 975/4885CYP3A4 88/4885

“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.