SCHEMBL12845346

SCHEMBL12845346

c1ccc2c(CCNc3ccc(NCc4ccncc4)cc3)c[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.59
HTR2A P28223 3/20 0.55
HTR1A P08908 2/20 0.55
DRD2 P14416 1/20 0.55
HTR7 P34969 1/20 0.55
HTR6 P50406 1/20 0.55
MC5R P33032 1/20 0.53
MC3R P41968 1/20 0.53
MC1R Q01726 1/20 0.53
KMT2A Q03164 2/20 0.53
POLB P06746 1/20 0.53
SLC2A1 P11166 1/20 0.53
RAD52 P43351 1/20 0.53
MEN1 O00255 1/20 0.53
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HTT P42858 1/20 0.51
USP2 O75604 1/20 0.50
ALOX15 P16050 1/20 0.50
KDR P35968 1/20 0.49

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
SCHEMBL12782284 0.96 HRH3 (0.61) HRH3HTR2AHTR1ADRD2HTR7
Serdemetan SCHEMBL3012498 0.87 HRH3 (0.58) HRH3HTR2AHTR1ADRD2HTR7
Serdemetan SCHEMBL29375950 0.87 HRH3 (0.58) HRH3HTR2AHTR1ADRD2HTR7
SCHEMBL12845625 0.87 HRH3 (0.56) HRH3HTR2AHTR1ADRD2HTR7
SCHEMBL12845544 0.84 HRH3 (0.61) HRH3HTR2AHTR1ADRD2HTR7
SCHEMBL8263310 0.82 HRH3 (0.58) HRH3HTR2AHTR1ADRD2HTR7
SCHEMBL6599683 0.81 HTR2A (0.71) HRH3HTR2AHTR1ADRD2HTR7
SCHEMBL8805136 0.81 HTR2A (0.55) HRH3HTR2AHTR1ADRD2HTR7
SCHEMBL12845432 0.81 KMT2A (0.57) HRH3HTR2AHTR1ADRD2HTR7
SCHEMBL12782483 0.80 HDAC3 (0.56) HRH3HTR2AHTR1ADRD2HTR7

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 3525/4885HTR2A 3566/4885HTR1A 2841/4885
US-20080039472-A1 Inhibitors of the Interaction Between Mdm2 and P53 TP53, MDM2, TP53BP1 HRH3 3525/4885HTR2A 3566/4885HTR1A 2841/4885

“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.