SCHEMBL12845665

SCHEMBL12845665

CCOc1cc([N+](=O)[O-])ccc1NCCc1c[nH]c2cc(OC)ccc12

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
GAA P10253 1/20 0.60
HTR2A P28223 2/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
FAAH O00519 1/20 0.51
CDK2 P24941 4/20 0.50
MTNR1A P48039 2/20 0.50
MTNR1B P49286 1/20 0.50
PKM P14618 1/20 0.46
PKLR P30613 1/20 0.46
HTR6 P50406 1/20 0.44
CYP19A1 P11511 1/20 0.44
NQO2 P16083 1/20 0.44
PTGDR Q13258 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 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
SCHEMBL13037069 0.87 CDK2 (0.66) MAPTMEN1KMT2AFAAHCDK2
SCHEMBL14817125 0.84 MTNR1A (0.53) MAPTHTR2AMEN1KMT2ACDK2
SCHEMBL12845508 0.84 HTR2A (0.56) MAPTHTR2AMEN1KMT2ACDK2
SCHEMBL678456 0.79 HTR2A (0.66) MAPTGAAHTR2AMEN1KMT2A
SCHEMBL29454821 0.79 HTR2A (0.66) MAPTGAAHTR2AMEN1KMT2A
SCHEMBL12845627 0.78 CDK2 (0.47) MAPTHTR2AMEN1KMT2ACDK2
SCHEMBL2243718 0.78 HTR2A (0.65) MAPTGAAHTR2AMEN1KMT2A
SCHEMBL8030630 0.78 MAPT (0.62) MAPTGAAHTR2AMEN1KMT2A
SCHEMBL2243480 0.76 CDK2 (0.73) MAPTGAAHTR2AMEN1KMT2A
SCHEMBL11956684 0.76 KMT2A (0.62) MAPTGAAHTR2AMEN1KMT2A

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 4 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-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 MAPT 1277/4885GAA 3247/4885HTR2A 3566/4885
US-20080039472-A1 Inhibitors of the Interaction Between Mdm2 and P53 TP53, MDM2, TP53BP1 MAPT 1277/4885GAA 3247/4885HTR2A 3566/4885

“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.