SCHEMBL9894075

SCHEMBL9894075

CCOC(=O)c1nc(CC2CCCC2)n(-c2cccc(Cl)c2F)c1-c1ccc(F)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 10/20 0.56
MDM4 O15151 2/20 0.38
TP53 P04637 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
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
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
CHRM3 P20309 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL1437067 0.99 MDM2 (0.57) MDM2MDM4TP53PDE4APDE4B
SCHEMBL1437289 0.88 MDM2 (0.71) MDM2PDE4BPDE4D
SCHEMBL1438218 0.88 MDM2 (0.71) MDM2PDE4BPDE4D
SCHEMBL9893683 0.87 MDM2 (0.73) MDM2PDE4BPDE4D
SCHEMBL1436934 0.87 MDM2 (0.73) MDM2PDE4BPDE4D
SCHEMBL1437527 0.86 MDM2 (0.61) MDM2ALDH1A1GABRA2GABRB2
SCHEMBL1437325 0.86 MDM2 (0.56) MDM2KDM4ETSHRPOLBSMN1; SMN2
SCHEMBL9893743 0.86 MDM2 (0.76) MDM2MDM4TP53KDM4ETSHR
SCHEMBL1437103 0.85 MDM2 (0.55) MDM2KDM4ETSHRPOLBSMN1; SMN2
SCHEMBL1437317 0.84 MDM2 (0.59) MDM2ALDH1A1GABRA2GABRB2

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.