SCHEMBL4335940

SCHEMBL4335940

COc1ccc(N2CCN(Cc3c(C)c(=O)n(-c4ccccc4)n3C)CC2)c(OC)c1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
TSHR P16473 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 1/20 0.47
HTR1A P08908 5/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 1/20 0.46
NOX4 Q9NPH5 1/20 0.45
SMO Q99835 1/20 0.44

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
SCHEMBL13913982 0.89 KDM4E (0.47) KDM4ETSHRSMN1; SMN2ALDH1A1HTR1A
SCHEMBL4334921 0.89 KDM4E (0.58) KDM4ESMN1; SMN2ALDH1A1HTR1ASMO
SCHEMBL4330975 0.89 KDM4E (0.47) KDM4ETSHRSMN1; SMN2ALDH1A1HTR1A
SCHEMBL4335032 0.81 SMN1; SMN2 (0.55) KDM4ESMN1; SMN2ALDH1A1POLBLMNA
SCHEMBL4329827 0.81 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1HTR1APOLBLMNA
SCHEMBL4334356 0.80 KDM4E (0.52) KDM4ESMN1; SMN2ALDH1A1HTR1ALMNA
SCHEMBL4465712 0.80 HTR1A (0.46) KDM4ETSHRHTR1APOLBLMNA
SCHEMBL4325592 0.80 SMN1; SMN2 (0.58) KDM4ESMN1; SMN2ALDH1A1HTR1ALMNA
SCHEMBL4332933 0.79 MAPK1 (0.49) KDM4ESMN1; SMN2ALDH1A1HTR1A
SCHEMBL4318710 0.79 HTR1A (0.58) KDM4EALDH1A1HTR1A

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-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders ASTRAZENECA AB (SE) 2009-03-12 US disclosed
US-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders ASTRAZENECA AB (SE) 2009-03-12 US disclosed
EP-1833800-A1 PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS AstraZeneca AB (SE) 2007-09-19 EP disclosed
WO-2006071730-A1 PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ASTRAZENECA AB (SE) 2006-07-06 WO disclosed
WO-2006071730-A1 PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ASTRAZENECA AB (SE) 2006-07-06 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-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders GRIN1, GRM1, GRIN3A KDM4E 3662/4885TSHR 240/4885SMN1; SMN2 1220/4885

“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.