SCHEMBL9893417

SCHEMBL9893417

CCOC(=O)c1nc(-c2cccc(C)n2)n(-c2cccc(Cl)c2F)c1-c1cc(Cl)ccc1OC

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 14/20 0.44
MDM4 O15151 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GABRA2 P47869 3/20 0.38
GABRB2 P47870 3/20 0.38
TP53 P04637 2/20 0.37

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
SCHEMBL9893983 0.91 MDM2 (0.46) MDM2MDM4TP53
SCHEMBL9894211 0.91 MDM2 (0.55) MDM2MDM4TP53
SCHEMBL9894076 0.89 MDM2 (0.58) MDM2MDM4MEN1KMT2AGABRA2
SCHEMBL1437376 0.89 MDM2 (0.45) MDM2MEN1KMT2AGABRA2GABRB2
SCHEMBL9893649 0.87 MDM2 (0.52) MDM2MDM4MEN1KMT2AGABRA2
SCHEMBL9893678 0.86 MDM2 (0.62) MDM2GABRA2GABRB2
SCHEMBL1438098 0.83 MDM2 (0.62) MDM2GABRA2GABRB2
SCHEMBL9894458 0.82 MDM2 (0.54) MDM2MDM4MEN1KMT2ATP53
SCHEMBL1437222 0.81 TP53 (0.38) MDM2MDM4TP53
SCHEMBL1437573 0.81 MDM2 (0.41) MDM2KMT2AGABRA2GABRB2

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 1/4885MEN1 510/4885

“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.