SCHEMBL9893694

SCHEMBL9893694

CCOC(=O)c1nc(C2CCCCC2)n(-c2cccc(Cl)c2F)c1-c1cc(Cl)c(F)cc1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 9/20 0.59
MDM4 O15151 2/20 0.39
TP53 P04637 2/20 0.39
KDM4E B2RXH2 2/20 0.36
TSHR P16473 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
OGFRL1 Q5TC84 4/20 0.36
OPRM1 P35372 3/20 0.36
OPRK1 P41145 3/20 0.36
OPRD1 P41143 2/20 0.36
LMNA P02545 1/20 0.36
NOTUM Q6P988 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL9893743 0.88 MDM2 (0.76) MDM2MDM4TP53KDM4ETSHR
SCHEMBL9893747 0.87 MDM2 (0.76) MDM2KDM4ENOTUMPDE4APDE4B
SCHEMBL9894458 0.86 MDM2 (0.54) MDM2MDM4TP53SMN1; SMN2ALDH1A1
SCHEMBL9894347 0.85 MDM2 (0.53) MDM2MDM4TP53OGFRL1OPRM1
SCHEMBL1437213 0.84 MDM2 (0.52) MDM2MDM4TP53
SCHEMBL9893701 0.83 MDM2 (0.53) MDM2MDM4TP53KDM4ETSHR
SCHEMBL1437081 0.81 MDM2 (0.49) MDM2MDM4TP53KDM4ETSHR
SCHEMBL27862848 0.78 MDM2 (0.80) MDM2ALDH1A1NOTUMPDE4BPDE4D
SCHEMBL27862912 0.77 MDM2 (0.78) MDM2ALDH1A1NOTUMPDE4BPDE4D
SCHEMBL1437160 0.76 MDM2 (0.59) MDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS NOVARTIS AG (CH) 2012-06-14 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 (1 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-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS MDM4, MDM2, TP53 MDM2 2/4885MDM4 1/4885TP53 3/4885

“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.