SCHEMBL12845706

SCHEMBL12845706

c1ccc(CCCNCc2cc(Nc3ccc(NCCc4c[nH]c5ccccc45)cc3)ccn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.46
SLC6A4 P31645 1/20 0.46
HRH3 Q9Y5N1 5/20 0.46
HTR2A P28223 3/20 0.45
MC5R P33032 2/20 0.45
MC3R P41968 2/20 0.45
MC1R Q01726 2/20 0.45
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
HTR7 P34969 1/20 0.45
HTR6 P50406 1/20 0.45
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.43
SLC2A1 P11166 1/20 0.43
RAD52 P43351 1/20 0.43
MITF O75030 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
GPR18 Q14330 1/20 0.42

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
SCHEMBL12845386 0.97 HTR2A (0.46) MPOSLC6A4HRH3HTR2AMC5R
SCHEMBL12845452 0.94 MC5R (0.49) HRH3HTR2AMC5RMC3RMC1R
SCHEMBL12845624 0.92 HRH3 (0.48) MPOSLC6A4HRH3HTR2AMC5R
SCHEMBL12845619 0.90 MC1R (0.46) HRH3HTR2AMC5RMC3RMC1R
SCHEMBL12845443 0.90 MC1R (0.47) MPOHRH3HTR2AMC5RMC3R
SCHEMBL12845708 0.89 MC1R (0.45) HRH3HTR2AMC5RMC3RMC1R
SCHEMBL12845539 0.88 MC5R (0.47) MPOSLC6A4HRH3HTR2AMC5R
SCHEMBL12845622 0.87 HTR2A (0.53) HRH3HTR2AMC5RMC3RMC1R
SCHEMBL12845516 0.87 HRH3 (0.50) HRH3HTR2AHTR1ADRD2HTR7
SCHEMBL12845672 0.86 PTGS2 (0.46) HRH3HTR2AMC5RMC3RMC1R

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 MPO 3360/4885SLC6A4 4520/4885HRH3 3525/4885
US-20080039472-A1 Inhibitors of the Interaction Between Mdm2 and P53 TP53, MDM2, TP53BP1 MPO 3360/4885SLC6A4 4520/4885HRH3 3525/4885

“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.