SCHEMBL9893786

SCHEMBL9893786

CCOC(=O)c1nc(CC(C)(C)C)n(-c2cccc(Cl)c2)c1-c1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 4/20 0.51
GABRA2 P47869 4/20 0.51
GABRB2 P47870 4/20 0.51
ALDH1A1 P00352 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.45
HTT P42858 1/20 0.43
ELANE P08246 1/20 0.41
CHRNA7 P36544 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
HPGD P15428 1/20 0.41
ADORA1 P30542 1/20 0.41
ALOX12 P18054 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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
SCHEMBL9893969 0.94 GABRA2 (0.47) MDM2GABRA2GABRB2ALDH1A1TRPM8
SCHEMBL9894878 0.88 MDM2 (0.58) MDM2GABRA2GABRB2ALDH1A1TRPM8
SCHEMBL9893913 0.86 MDM2 (0.51) MDM2GABRA2GABRB2ALDH1A1TRPM8
SCHEMBL1437218 0.85 ALDH1A1 (0.48) GABRA2GABRB2ALDH1A1TRPM8HTT
SCHEMBL9893814 0.85 MDM2 (0.64) MDM2GABRA2GABRB2ALDH1A1
SCHEMBL9894396 0.85 MDM2 (0.52) MDM2GABRA2GABRB2HTTCYP3A4
Lithium SCHEMBL9893816 0.85 MDM2 (0.64) MDM2GABRA2GABRB2ALDH1A1
SCHEMBL1436848 0.85 MDM2 (0.55) MDM2GABRA2GABRB2ALDH1A1TRPM8
Lithium Ion SCHEMBL9893815 0.84 MDM2 (0.51) MDM2GABRA2GABRB2
SCHEMBL9893742 0.84 MDM2 (0.72) MDM2GABRA2GABRB2ALDH1A1TRPM8

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.