SCHEMBL12845602

SCHEMBL12845602

OCCc1cc(Nc2ccc(NCCc3c[nH]c4ccccc34)cc2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.49
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48
HTR2A P28223 1/20 0.48
HTR7 P34969 1/20 0.48
HTR6 P50406 1/20 0.48
PTGS2 P35354 5/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.46
SLC2A1 P11166 1/20 0.46
RAD52 P43351 1/20 0.46
PTGS1 P23219 1/20 0.46
CDK2 P24941 5/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL12782063 0.94 HRH3 (0.49) HRH3HTR1ADRD2HTR2AHTR7
SCHEMBL12845539 0.91 MC5R (0.47) HRH3HTR1ADRD2HTR2AHTR7
SCHEMBL12845520 0.89 HTR2A (0.51) HRH3HTR1ADRD2HTR2AHTR7
SCHEMBL12845619 0.89 MC1R (0.46) HRH3HTR1ADRD2HTR2AHTR7
SCHEMBL12845428 0.89 HRH3 (0.44) HRH3HTR1ADRD2HTR2AHTR7
SCHEMBL12845708 0.89 MC1R (0.45) HRH3HTR1ADRD2HTR2AHTR7
SCHEMBL12845612 0.88 PTGS2 (0.50) HRH3HTR1ADRD2HTR2AHTR7
SCHEMBL12845516 0.88 HRH3 (0.50) HRH3HTR1ADRD2HTR2AHTR7
SCHEMBL12845784 0.88 HTR2A (0.51) HRH3HTR1ADRD2HTR2AHTR7
SCHEMBL12845623 0.87 HRH3 (0.54) HRH3HTR1ADRD2HTR2AHTR7

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 HRH3 3525/4885HTR1A 2841/4885DRD2 3602/4885
US-20080039472-A1 Inhibitors of the Interaction Between Mdm2 and P53 TP53, MDM2, TP53BP1 HRH3 3525/4885HTR1A 2841/4885DRD2 3602/4885

“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.