SCHEMBL2953604

SCHEMBL2953604

O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CCCl)c1

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 20/20 0.79
KCNH2 Q12809 14/20 0.79
CYP3A4 P08684 3/20 0.78

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
SCHEMBL12340339 0.91 MCHR1 (0.81) MCHR1KCNH2CYP3A4
SCHEMBL2960488 0.91 MCHR1 (0.78) MCHR1KCNH2CYP3A4
Hydrochloric Acid SCHEMBL2967177 0.90 MCHR1 (0.76) MCHR1KCNH2CYP3A4
SCHEMBL2959141 0.89 MCHR1 (0.78) MCHR1KCNH2CYP3A4
SCHEMBL12340340 0.89 MCHR1 (0.81) MCHR1KCNH2CYP3A4
SCHEMBL12343953 0.89 MCHR1 (0.77) MCHR1KCNH2CYP3A4
SCHEMBL12339976 0.88 MCHR1 (1.00) MCHR1KCNH2CYP3A4
Hydrochloric Acid SCHEMBL2955403 0.88 MCHR1 (0.77) MCHR1KCNH2CYP3A4
SCHEMBL539304 0.88 MCHR1 (1.00) MCHR1KCNH2CYP3A4
Hydrochloric Acid SCHEMBL2966881 0.88 MCHR1 (0.98) MCHR1KCNH2CYP3A4

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-8268868-B2 5-pyridinone substituted indazoles ALBANY MOLECULAR RESEARCH, INC. (US) 2012-09-18 US disclosed
US-8268868-B2 5-pyridinone substituted indazoles ALBANY MOLECULAR RESEARCH, INC. (US) 2012-09-18 US disclosed
US-20100105679-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2010-04-29 US disclosed
US-20100105679-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2010-04-29 US disclosed
EP-2121654-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES Albany Molecular Research, Inc. (US) 2009-11-25 EP disclosed
WO-2008086404-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2008-07-17 WO disclosed
WO-2008086404-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2008-07-17 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 (1 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

“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.