SCHEMBL12845356

SCHEMBL12845356

COc1ccc2[nH]cc(CCNc3ccc(Nc4ccnc5ccccc45)cc3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.58
USP2 O75604 15/20 0.56
CYP1A2 P05177 15/20 0.56
CYP3A4 P08684 15/20 0.56
CYP2D6 P10635 15/20 0.56
CYP2C19 P33261 15/20 0.56
CLK4 Q9HAZ1 13/20 0.56
MAPK1 P28482 6/20 0.56
TP53 P04637 6/20 0.56
ALOX15 P16050 6/20 0.56
PTGS1 P23219 1/20 0.55
PTGS2 P35354 1/20 0.55
CYP2C9 P11712 12/20 0.55
MEN1 O00255 10/20 0.55
KMT2A Q03164 10/20 0.55
LMNA P02545 8/20 0.55
ALDH1A1 P00352 6/20 0.55
GLA P06280 3/20 0.55
MAPT P10636 2/20 0.55
KDM4E B2RXH2 1/20 0.55

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
SCHEMBL12845351 0.93 HTT (0.58) HTTUSP2CYP1A2CYP3A4CYP2D6
SCHEMBL8265749 0.93 PAK4 (0.55) HTTUSP2CYP1A2CYP3A4CYP2D6
SCHEMBL12845502 0.86 KMT2A (0.56) HTTPTGS1PTGS2MEN1KMT2A
SCHEMBL12845365 0.82 HTR2A (0.61) USP2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL8043495 0.81 USP2 (0.49) HTTUSP2CYP1A2CYP3A4CYP2D6
SCHEMBL12845353 0.81 GAK (0.53) HTTMAPK1PTGS2MEN1KMT2A
SCHEMBL12845437 0.80 FADS1 (0.51) PTGS1PTGS2KMT2AMAPT
SCHEMBL12845326 0.80 HTR1A (0.53) HTTCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL12845354 0.80 POLB (0.59) USP2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL7006163 0.77 DRD2 (0.73) HTTPTGS2MEN1KMT2ALMNA

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 HTT 439/4885USP2 1488/4885CYP1A2 2773/4885
US-20080039472-A1 Inhibitors of the Interaction Between Mdm2 and P53 TP53, MDM2, TP53BP1 HTT 439/4885USP2 1488/4885CYP1A2 2773/4885

“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.