SCHEMBL9926537

SCHEMBL9926537

CCC(C)(C)NC(=O)Cc1ccc(Cl)c(F)c1C

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HPGD P15428 2/20 0.49
ANO1 Q5XXA6 5/20 0.41
P2RX7 Q99572 8/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL9926575 0.89 POLB (0.44) KDM4EL3MBTL1HPGDANO1P2RX7
SCHEMBL9926536 0.88 KDM4E (0.40) KDM4EL3MBTL1HPGDANO1P2RX7
SCHEMBL9926581 0.87 CA1 (0.48) KDM4EHPGDANO1P2RX7ALDH1A1
SCHEMBL9926670 0.82 PIK3CD (0.40) KDM4EANO1P2RX7ALDH1A1HTT
SCHEMBL9926582 0.81 IDO1 (0.38) KDM4EL3MBTL1ANO1P2RX7ALDH1A1
SCHEMBL9926626 0.81 P2RX7 (0.41) P2RX7
SCHEMBL9926578 0.77 P2RX7 (0.41) P2RX7
SCHEMBL13702382 0.77 L3MBTL1 (0.64) KDM4EL3MBTL1HPGDANO1P2RX7
SCHEMBL9926555 0.76 MEP1B (0.41) KDM4EL3MBTL1HPGDP2RX7ALDH1A1
SCHEMBL9926557 0.76 CXCL8 (0.41)

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 983/4885L3MBTL1 676/4885HPGD 2850/4885

“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.