SCHEMBL9893911

SCHEMBL9893911

CCOC(=O)C1(O)CN(c2cccc(Cl)c2F)C(CC2CCCCC2)=N1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 5/20 0.37
TP53 P04637 3/20 0.37
MDM4 O15151 2/20 0.37
KDM4E B2RXH2 3/20 0.37
TSHR P16473 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
POLB P06746 2/20 0.37
TDP1 Q9NUW8 4/20 0.36
ALDH1A1 P00352 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 2/20 0.35
NOS2 P35228 1/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.34
MEN1 O00255 1/20 0.34
RAF1 P04049 1/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL9894266 0.99 KDM4E (0.37) MDM2TP53MDM4KDM4ETSHR
SCHEMBL1437343 0.85 KDM4E (0.40) MDM2TP53MDM4KDM4ETSHR
SCHEMBL1437429 0.83 ALDH1A1 (0.36) MDM2TP53KDM4ETSHRSMN1; SMN2
SCHEMBL9893993 0.78 MDM2 (0.43) MDM2KDM4ETSHRSMN1; SMN2POLB
SCHEMBL1437163 0.78 OPRK1 (0.40) KDM4ESMN1; SMN2POLBALDH1A1KMT2A
SCHEMBL1437544 0.71 KDM4E (0.32) MDM2TP53MDM4KDM4ETSHR
SCHEMBL9893780 0.71 TSHR (0.33) MDM2TP53MDM4KDM4ETSHR
SCHEMBL1438488 0.71 TSHR (0.33) MDM2TP53MDM4KDM4ETSHR
SCHEMBL1442132 0.70 GABRA2 (0.42) MDM2TP53MDM4KDM4ETSHR
SCHEMBL9893904 0.70 PDE4A (0.40) MDM2TP53MDM4KDM4ETSHR

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 2/4885TP53 3/4885MDM4 1/4885

“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.