SCHEMBL12845690

SCHEMBL12845690

c1ccc2c(CCNCCc3ccc(Nc4ccncc4)cc3)c[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MC5R P33032 2/20 0.56
▸ MC3R P41968 2/20 0.56
▸ MC1R Q01726 2/20 0.56
▸ G6PD P11413 1/20 0.55
▸ HTR2A P28223 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ HTR1A P08908 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ HRH3 Q9Y5N1 3/20 0.49
▸ BCHE P06276 1/20 0.49
▸ KMT2A Q03164 3/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ GLA P06280 1/20 0.46

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
Serdemetan SCHEMBL29375950 0.86 HRH3 (0.58) MC5RMC3RMC1RHTR2AALDH1A1
Serdemetan SCHEMBL3012498 0.86 HRH3 (0.58) MC5RMC3RMC1RHTR2AALDH1A1
SCHEMBL12782485 0.85 HDAC3 (0.56) MC5RMC3RMC1RHTR1AHRH3
SCHEMBL2086151 0.83 KMT2A (0.60) MC5RMC3RMC1RG6PDHTR2A
SCHEMBL12782504 0.82 MC1R (0.52) MC5RMC3RMC1RALDH1A1KDM4E
SCHEMBL12782483 0.81 HDAC3 (0.56) MC5RMC3RMC1RHTR2AALDH1A1
SCHEMBL6165432 0.81 MC5R (0.71) MC5RMC3RMC1RG6PDHTR2A
SCHEMBL12782284 0.81 HRH3 (0.61) MC5RMC3RMC1RHTR2AALDH1A1
SCHEMBL12845524 0.81 HDAC3 (0.53) MC5RMC3RMC1RHTR2AALDH1A1
SCHEMBL17232881 0.80 MC5R (0.83) MC5RMC3RMC1RG6PDHTR2A

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 MC5R 3658/4885MC3R 3348/4885MC1R 2348/4885
US-20080039472-A1 Inhibitors of the Interaction Between Mdm2 and P53 TP53, MDM2, TP53BP1 MC5R 3658/4885MC3R 3348/4885MC1R 2348/4885

“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.

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