SCHEMBL8040876

SCHEMBL8040876

COc1ccc2c(CCNc3c(Cl)cc(N)cc3Cl)c[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
MTNR1A P48039 3/20 0.57
MTNR1B P49286 2/20 0.57
HTR6 P50406 1/20 0.53
MAPT P10636 2/20 0.53
PTGDR Q13258 1/20 0.51
MAPK1 P28482 2/20 0.48
HPGD P15428 1/20 0.48
IP6K1 Q92551 1/20 0.48
GAA P10253 1/20 0.47
CDK2 P24941 1/20 0.47
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 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
SCHEMBL18784065 0.90 MTNR1A (0.58) HTR2AMEN1KMT2AMTNR1AMTNR1B
SCHEMBL8030630 0.84 MAPT (0.62) HTR2AMEN1KMT2AMTNR1AMTNR1B
SCHEMBL8041094 0.82 MTNR1A (0.50) HTR2AMEN1KMT2AMTNR1AMTNR1B
SCHEMBL8041585 0.81 POLB (0.59) HTR2AKMT2AHTR6CDK2USP2
SCHEMBL21943825 0.79 HTR1D (0.47) MEN1KMT2AMTNR1AMTNR1BHTR6
SCHEMBL12352511 0.78 HTR2A (0.79) HTR2AMEN1KMT2AMTNR1AMTNR1B
SCHEMBL12845508 0.78 HTR2A (0.56) HTR2AMEN1KMT2AMTNR1AMTNR1B
SCHEMBL8035955 0.77 MTNR1A (0.47) HTR2AMEN1KMT2AMTNR1AMTNR1B
SCHEMBL8043495 0.77 USP2 (0.49) MEN1KMT2AMTNR1AMTNR1BMAPT
SCHEMBL28079083 0.76 MTNR1A (0.68) HTR2AMEN1KMT2AMTNR1AMTNR1B

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11583524-B2 Inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICA NV (BE) 2023-02-21 US disclosed
US-20170112818-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2017-04-27 US disclosed
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-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
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 (3 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 HTR2A 3374/4885MEN1 1259/4885KMT2A 2789/4885
US-20170112818-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 TP53, MDM2, TP53BP1 HTR2A 3374/4885MEN1 1259/4885KMT2A 2789/4885
US-11583524-B2 Inhibitors of the interaction between MDM2 and P53 TP53, MDM2, TP53BP1 HTR2A 3374/4885MEN1 1259/4885KMT2A 2789/4885

“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.