SCHEMBL9894154

SCHEMBL9894154

CCOC(=O)c1nc(CC2CC2)n(-c2ccc(Cl)cc2)c1-c1cccc(Cl)c1F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CNR1 P21554 6/20 0.39
CNR2 P34972 3/20 0.39
MDM4 O15151 4/20 0.39
MDM2 Q00987 4/20 0.39
GABRA2 P47869 3/20 0.39
GABRB2 P47870 3/20 0.39
TP53 P04637 2/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 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
SCHEMBL9894030 0.87 MDM2 (0.44) CNR1CNR2MDM2
SCHEMBL1437062 0.85 CNR1 (0.40) CNR1CNR2
SCHEMBL9894160 0.83 GABRA2 (0.46) KDM4ENPC1RAB9AMDM2GABRA2
SCHEMBL9893870 0.80 KDM4E (0.46) KDM4ENPC1RAB9AGABRA2GABRB2
SCHEMBL1436909 0.79 ALDH1A1 (0.43) KDM4EMDM4MDM2GABRA2GABRB2
SCHEMBL9894075 0.77 MDM2 (0.56) KDM4ECNR2MDM4MDM2GABRA2
SCHEMBL9893965 0.76 MDM2 (0.48) CNR1CNR2MDM2GABRA2GABRB2
SCHEMBL1437067 0.76 MDM2 (0.57) KDM4EMDM4MDM2TP53ALDH1A1
SCHEMBL9894088 0.76 PDE4B (0.41) KDM4EMDM4MDM2TP53ALDH1A1
SCHEMBL1440068 0.76 MDM2 (0.57) MDM2GABRA2GABRB2TP53MAPT

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 KDM4E 983/4885NPC1 3324/4885RAB9A 3018/4885

“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.