SCHEMBL9893978

SCHEMBL9893978

CCOC(=O)c1nc(C2CCCNC2)n(-c2cc(Cl)ccc2C)c1-c1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 6/20 0.51
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
ACP1 P24666 1/20 0.37
CHRNA7 P36544 1/20 0.37
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
FAAH O00519 1/20 0.35

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
SCHEMBL27862796 0.91 MDM2 (0.46) MDM2GABRA2GABRB2ACP1
SCHEMBL1437051 0.90 MDM2 (0.56) MDM2GABRA2GABRB2TRPM8FAAH
SCHEMBL9894039 0.89 MDM2 (0.62) MDM2
SCHEMBL1437712 0.85 MDM2 (0.51) MDM2GABRA2GABRB2TRPM8
SCHEMBL1443243 0.81 MDM2 (0.49) MDM2GABRA2GABRB2JAK2JAK3
SCHEMBL9893892 0.80 MDM2 (0.78) MDM2GABRA2GABRB2TRPM8
SCHEMBL1437160 0.79 MDM2 (0.59) MDM2GABRA2GABRB2
SCHEMBL9893837 0.78 MDM2 (0.77) MDM2GABRA2GABRB2TRPM8JAK2
SCHEMBL9893673 0.78 MDM2 (0.69) MDM2GABRA2GABRB2TRPM8
Lithium SCHEMBL9893840 0.78 MDM2 (0.68) MDM2

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.