SCHEMBL9893969

SCHEMBL9893969

CCOC(=O)c1nc(CC(C)(C)C)n(-c2ccc(Cl)cc2)c1-c1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 6/20 0.47
GABRB2 P47870 6/20 0.47
MDM2 Q00987 4/20 0.45
CHRNA7 P36544 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
KMT2A Q03164 1/20 0.40
TARBP2 Q15633 1/20 0.40
CYP19A1 P11511 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
SCHEMBL9893786 0.94 MDM2 (0.51) GABRA2GABRB2MDM2CHRNA7TRPM8
SCHEMBL9894878 0.89 MDM2 (0.58) GABRA2GABRB2MDM2TRPM8ALDH1A1
SCHEMBL9894113 0.87 MDM2 (0.57) GABRA2GABRB2MDM2CNR1CNR2
SCHEMBL1443291 0.85 MDM2 (0.63) GABRA2GABRB2MDM2CHRNA7TRPM8
SCHEMBL9894160 0.85 GABRA2 (0.46) GABRA2GABRB2MDM2CHRNA7TRPM8
SCHEMBL9893850 0.84 PDE4B (0.45) MDM2CNR1CNR2
SCHEMBL9893774 0.80 KDM4E (0.47) GABRA2GABRB2CHRNA7MAPK1ALDH1A1
SCHEMBL9893913 0.80 MDM2 (0.51) GABRA2GABRB2MDM2CHRNA7TRPM8
SCHEMBL1437218 0.80 ALDH1A1 (0.48) GABRA2GABRB2TRPM8ALDH1A1KMT2A
SCHEMBL9893814 0.79 MDM2 (0.64) GABRA2GABRB2MDM2ALDH1A1KDM4E

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 GABRA2 4293/4885GABRB2 4278/4885MDM2 2/4885

“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.