SCHEMBL12845592

SCHEMBL12845592

OCCCNCc1cc(Cl)ccn1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.42
LMNA P02545 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 1/20 0.40
STK4 Q13043 1/20 0.38
STK3 Q13188 1/20 0.38
LRRK2 Q5S007 1/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CCR1 P32246 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CDK1 P06493 1/20 0.37
KDM4D Q6B0I6 1/20 0.37
CYP1A2 P05177 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
SCHEMBL12845658 0.95 LMNA (0.45) CHRM2LMNANPSR1ALDH1A1STK4
SCHEMBL12845332 0.90 CYP1A2 (0.43) CHRM2LMNANPSR1ALDH1A1SMN1; SMN2
SCHEMBL29774129 0.82 L3MBTL1 (0.42) ALDH1A1POLBKDM4ECCR1CYP1A2
SCHEMBL12845328 0.79 SIGMAR1 (0.50) CHRM2LMNAALDH1A1SMN1; SMN2
SCHEMBL8265717 0.78 SIGMAR1 (0.55) CHRM2
SCHEMBL28330941 0.77 KDM4E (0.42) CHRM2LMNANPSR1KDM4ESMN1; SMN2
SCHEMBL8264771 0.76 CYP1A2 (0.36) CHRM2ALDH1A1KDM4ECCR1CYP1A2
SCHEMBL12845426 0.76 CYP1A2 (0.40) LMNAALDH1A1POLBKDM4ECCR1
SCHEMBL14231682 0.75 KDM4E (0.39) CHRM2LMNAKDM4ECCR1SMN1; SMN2
SCHEMBL8265624 0.75 CCNC (0.52) LMNAALDH1A1KDM4ESMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404683-B2 Inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICAL N.V. (BE) 2013-03-26 US disclosed
US-20110053937-A1 Inhibitors of the Interaction Between MDM2 and P53 LACRAMPE JEAN FERNAND ARMAND 2011-03-03 US disclosed
US-7834016-B2 Inhibitors of the interaction between MDM2 and p53 JANSSEN PHARMACEUTICA NV (BE) 2010-11-16 US disclosed
US-7834016-B2 Inhibitors of the interaction between MDM2 and p53 JANSSEN PHARMACEUTICA NV (BE) 2010-11-16 US disclosed
US-20080039472-A1 Inhibitors of the Interaction Between Mdm2 and P53 JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-14 US disclosed
US-20080039472-A1 Inhibitors of the Interaction Between Mdm2 and P53 JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-14 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-20110053937-A1 Inhibitors of the Interaction Between MDM2 and P53 TP53, MDM2, TP53BP1 CHRM2 1037/4885LMNA 1226/4885NPSR1 1698/4885
US-20080039472-A1 Inhibitors of the Interaction Between Mdm2 and P53 TP53, MDM2, TP53BP1 CHRM2 1037/4885LMNA 1226/4885NPSR1 1698/4885

“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.