SCHEMBL9893700

SCHEMBL9893700

CCOC(=O)c1nc(-c2ccccc2)n(-c2cccc(Cl)c2F)c1-c1cc(Cl)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 6/20 0.59
GABRA2 P47869 4/20 0.48
GABRB2 P47870 4/20 0.48
MAPT P10636 4/20 0.41
NPSR1 Q6W5P4 3/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP19A1 P11511 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.40

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
SCHEMBL9894076 0.90 MDM2 (0.58) MDM2GABRA2GABRB2MAPTNPSR1
SCHEMBL9893756 0.88 MDM2 (0.75) MDM2GABRA2GABRB2MAPTNPSR1
SCHEMBL9894417 0.88 MDM2 (0.56) MDM2GABRA2GABRB2MAPTNPSR1
SCHEMBL9894477 0.88 MDM2 (0.77) MDM2GABRA2GABRB2MAPTNPSR1
SCHEMBL1437028 0.87 MDM2 (0.55) MDM2GABRA2GABRB2MAPTNPSR1
SCHEMBL9893649 0.85 MDM2 (0.52) MDM2GABRA2GABRB2MAPTNPSR1
SCHEMBL9894464 0.85 MDM2 (0.77) MDM2GABRA2GABRB2MAPTNPSR1
SCHEMBL1440068 0.84 MDM2 (0.57) MDM2GABRA2GABRB2MAPTNPSR1
SCHEMBL1437350 0.83 MDM2 (0.51) MDM2GABRA2GABRB2NPSR1LMNA
SCHEMBL9893801 0.82 MDM2 (0.49) MDM2GABRA2GABRB2MAPTNPSR1

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 2/4885GABRA2 4293/4885GABRB2 4278/4885

“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.