SCHEMBL9893799

SCHEMBL9893799

CCOC(=O)c1nc(-c2cccc(C)c2)n(-c2cc(Cl)ccc2C)c1-c1cc(Cl)ccc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 2/20 0.60
ELANE P08246 1/20 0.43
MAPT P10636 2/20 0.43
THRB P10828 1/20 0.43
GABRA2 P47869 6/20 0.41
GABRB2 P47870 6/20 0.41
NPSR1 Q6W5P4 2/20 0.41
GAA P10253 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
GABRG2 P18507 3/20 0.39
GABRB3 P28472 3/20 0.39
GABRA5 P31644 3/20 0.39

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
SCHEMBL9894027 0.93 MDM2 (0.58) MDM2MAPTGABRA2GABRB2NPSR1
SCHEMBL9894293 0.92 MDM2 (0.49) MDM2ELANEMAPTTHRBGABRA2
SCHEMBL9893616 0.92 MAPT (0.49) MDM2MAPTTHRBGABRA2GABRB2
SCHEMBL9893761 0.91 MDM2 (0.62) MDM2ELANEMAPTGABRA2GABRB2
SCHEMBL1437158 0.91 MDM2 (0.47) MDM2MAPTGABRA2GABRB2NPSR1
SCHEMBL9894203 0.91 MDM2 (0.73) MDM2MAPTTHRBNPSR1ALDH1A1
SCHEMBL9893829 0.90 MDM2 (0.61) MDM2MAPTTHRBNPSR1GAA
SCHEMBL9893649 0.88 MDM2 (0.52) MDM2ELANEMAPTTHRBGABRA2
SCHEMBL9893837 0.88 MDM2 (0.77) MDM2ELANEMAPTGABRA2GABRB2
SCHEMBL1437376 0.86 MDM2 (0.45) MDM2ELANEMAPTGABRA2GABRB2

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 2/4885ELANE 3583/4885MAPT 582/4885

“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.