SCHEMBL12845658

SCHEMBL12845658

OCCCCNCc1cc(Cl)ccn1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CHRM2 P08172 3/20 0.45
ALDH1A1 P00352 2/20 0.42
CCR1 P32246 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.38
STK4 Q13043 1/20 0.38
STK3 Q13188 1/20 0.38
LRRK2 Q5S007 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
ADORA1 P30542 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
SCHEMBL12845592 0.95 CHRM2 (0.42) LMNANPSR1CHRM2ALDH1A1CCR1
SCHEMBL12845332 0.89 CYP1A2 (0.43) LMNANPSR1CHRM2ALDH1A1CYP1A2
SCHEMBL29774129 0.81 L3MBTL1 (0.42) ALDH1A1CCR1CYP1A2KDM4E
SCHEMBL8265717 0.80 SIGMAR1 (0.55) CHRM2
SCHEMBL28330941 0.78 KDM4E (0.42) LMNANPSR1CHRM2KDM4ESMN1; SMN2
SCHEMBL12845328 0.78 SIGMAR1 (0.50) LMNACHRM2ALDH1A1SMN1; SMN2
SCHEMBL13271124 0.77 CHRM2 (0.41) LMNANPSR1CHRM2ALDH1A1KDM4E
SCHEMBL21638040 0.76 CHRM2 (0.77) LMNACHRM2ALDH1A1CYP1A2CYP2D6
SCHEMBL21744314 0.76 STK17B (0.47) LMNAALDH1A1CYP3A4KDM4E
SCHEMBL8264771 0.75 CYP1A2 (0.36) CHRM2ALDH1A1CCR1CYP1A2KDM4E

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 LMNA 1226/4885NPSR1 1698/4885CHRM2 1037/4885
US-20080039472-A1 Inhibitors of the Interaction Between Mdm2 and P53 TP53, MDM2, TP53BP1 LMNA 1226/4885NPSR1 1698/4885CHRM2 1037/4885

“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.