SCHEMBL8030630

SCHEMBL8030630

COc1ccc2c(CCNc3c(Cl)cc([N+](=O)[O-])cc3Cl)c[nH]c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.62
GAA P10253 1/20 0.62
MTNR1A P48039 3/20 0.54
MTNR1B P49286 2/20 0.54
HTR2A P28223 3/20 0.54
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
FAAH O00519 1/20 0.52
CDK2 P24941 2/20 0.49
HTR6 P50406 1/20 0.48
PTGDR Q13258 1/20 0.47
HPGD P15428 2/20 0.47
MAPK1 P28482 1/20 0.47
PKM P14618 1/20 0.45
PKLR P30613 1/20 0.45
IP6K1 Q92551 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A1 P04798 1/20 0.44
MPO P05164 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
SCHEMBL18784065 0.85 MTNR1A (0.58) MAPTGAAMTNR1AMTNR1BHTR2A
SCHEMBL8040876 0.84 HTR2A (0.58) MAPTGAAMTNR1AMTNR1BHTR2A
SCHEMBL18531428 0.83 CDK2 (0.65) MAPTMEN1KMT2AFAAHCDK2
SCHEMBL8041094 0.78 MTNR1A (0.50) MAPTGAAMTNR1AMTNR1BHTR2A
SCHEMBL12845665 0.78 MAPT (0.60) MAPTGAAMTNR1AMTNR1BHTR2A
SCHEMBL12810783 0.77 CDK2 (0.52) HTR2AMEN1KMT2ACDK2PKM
SCHEMBL28370586 0.75 HTR2A (0.64) MAPTGAAMTNR1AMTNR1BHTR2A
SCHEMBL12352511 0.73 HTR2A (0.79) MAPTGAAMTNR1AMTNR1BHTR2A
SCHEMBL8043495 0.73 USP2 (0.49) MAPTMTNR1AMTNR1BMEN1KMT2A
SCHEMBL8035955 0.73 MTNR1A (0.47) MAPTGAAMTNR1AMTNR1BHTR2A

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-20170112818-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2017-04-27 US disclosed
US-9573933-B2 Inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICA NV (BE) 2017-02-21 US disclosed
US-20100240637-A1 Inhibitors of the Interaction Between MDM2 and P53 JANSSEN PHARMACEUTICAL NV (BE) 2010-09-23 US disclosed
WO-2009037308-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2009-03-26 WO 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-20100240637-A1 Inhibitors of the Interaction Between MDM2 and P53 TP53, MDM2, TP53BP1 MAPT 1187/4885GAA 3564/4885MTNR1A 1006/4885
US-20170112818-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 TP53, MDM2, TP53BP1 MAPT 1187/4885GAA 3564/4885MTNR1A 1006/4885

“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.