SCHEMBL12845784

SCHEMBL12845784

CNCc1cc(Nc2ccc(NCCc3c[nH]c4ccccc34)cc2)ccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.51
HTR1A P08908 2/20 0.51
HTT P42858 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HRH3 Q9Y5N1 4/20 0.50
DRD2 P14416 1/20 0.47
HTR7 P34969 1/20 0.47
HTR6 P50406 1/20 0.47
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
SLC2A1 P11166 1/20 0.45
RAD52 P43351 1/20 0.45
EIF2AK2 P19525 1/20 0.45
MC5R P33032 1/20 0.44
MC3R P41968 1/20 0.44
MC1R Q01726 1/20 0.44
PTGS2 P35354 2/20 0.44
PAK4 O96013 3/20 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
SCHEMBL12845622 0.90 HTR2A (0.53) HTR2AHTR1AHTTKDM4EALDH1A1
SCHEMBL12845541 0.89 HRH3 (0.46) HTR2AHTR1AHTTKDM4EALDH1A1
SCHEMBL12845516 0.88 HRH3 (0.50) HTR2AHTR1AHTTKDM4EALDH1A1
SCHEMBL12845520 0.88 HTR2A (0.51) HTR2AHTR1AHTTKDM4EALDH1A1
SCHEMBL12782063 0.88 HRH3 (0.49) HTR2AHTR1AHRH3DRD2HTR7
SCHEMBL12845602 0.88 HRH3 (0.49) HTR2AHTR1AHRH3DRD2HTR7
SCHEMBL12845394 0.88 MEN1 (0.55) HRH3KMT2AMEN1POLBPTGS2
SCHEMBL12845525 0.88 HRH3 (0.46) HTR2AHTR1AHRH3DRD2HTR7
SCHEMBL12845443 0.87 MC1R (0.47) HTR2AHTR1AHRH3DRD2HTR7
SCHEMBL12845539 0.87 MC5R (0.47) HTR2AHTR1AHRH3DRD2HTR7

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 HTR2A 3566/4885HTR1A 2841/4885HTT 439/4885
US-20080039472-A1 Inhibitors of the Interaction Between Mdm2 and P53 TP53, MDM2, TP53BP1 HTR2A 3566/4885HTR1A 2841/4885HTT 439/4885

“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.