SCHEMBL9893718

SCHEMBL9893718

CCOC(=O)c1nc(-c2ccccn2)n(-c2cc(Cl)ccc2C)c1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 2/20 0.45
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 2/20 0.41
GABRA2 P47869 5/20 0.41
GABRB2 P47870 5/20 0.41
MAPT P10636 2/20 0.41
ELANE P08246 2/20 0.40
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GABRA1 P14867 1/20 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
SCHEMBL9894131 0.87 MDM2 (0.46) MDM2LMNAGABRA2GABRB2MAPT
SCHEMBL9893835 0.87 MDM2 (0.60) MDM2MEN1KMT2ALMNAGABRA2
SCHEMBL9893974 0.86 MDM2 (0.63) MDM2MEN1NPC1KMT2ARAB9A
SCHEMBL1438083 0.84 MDM2 (0.44) MDM2MEN1NPC1KMT2ARAB9A
SCHEMBL1437622 0.83 GABRA2 (0.52) MDM2GABRA2GABRB2MAPTHTT
SCHEMBL1437191 0.82 MDM2 (0.62) MDM2GABRA2GABRB2MAPTELANE
SCHEMBL9893880 0.82 MDM2 (0.48) MDM2LMNAGABRA2GABRB2MAPT
SCHEMBL1437751 0.82 MDM2 (0.49) MDM2MEN1NPC1KMT2ARAB9A
SCHEMBL1437420 0.78 GABRA2 (0.62) MEN1NPC1KMT2ARAB9ALMNA
SCHEMBL9894149 0.77 GABRA2 (0.42) MDM2MEN1KMT2ALMNAGABRA2

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 2/4885MEN1 510/4885NPC1 3324/4885

“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.