SCHEMBL9894042

SCHEMBL9894042

O=C(O)c1nc(C2CCCC(O)C2)n(-c2cccc(Cl)c2F)c1-c1ccc(F)c(Cl)c1

nearest known ligand 0.82

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 14/20 0.82
NOTUM Q6P988 1/20 0.37
KCNJ6 P48051 1/20 0.35
KCNJ5 P48544 1/20 0.35
KCNJ3 P48549 1/20 0.35
MAPK1 P28482 3/20 0.35
PDE4B Q07343 1/20 0.35
PDE4D Q08499 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
SCHEMBL9893723 0.90 MDM2 (1.00) MDM2NOTUMKCNJ6KCNJ5KCNJ3
SCHEMBL1438349 0.86 MDM2 (0.61) MDM2PDE4BPDE4D
SCHEMBL1437021 0.83 MDM2 (0.68) MDM2NOTUMKCNJ6KCNJ5KCNJ3
SCHEMBL1437212 0.83 MDM2 (1.00) MDM2NOTUMPDE4BPDE4D
SCHEMBL27862912 0.80 MDM2 (0.78) MDM2NOTUMPDE4BPDE4D
SCHEMBL1438290 0.80 MDM2 (0.82) MDM2
SCHEMBL27862848 0.80 MDM2 (0.80) MDM2NOTUMPDE4BPDE4D
SCHEMBL9893686 0.80 MDM2 (0.83) MDM2MAPK1PDE4BPDE4D
SCHEMBL9893724 0.78 MDM2 (1.00) MDM2NOTUM
SCHEMBL9893743 0.78 MDM2 (0.76) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102574785-A Tetra-substituted heteroaryl compounds and their use as MDM2 and/or MDM4 modulators NOVARTIS AG 2012-07-11 CN disclosed
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 2/4885NOTUM 4675/4885KCNJ6 4775/4885

“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.