SCHEMBL9893965

SCHEMBL9893965

CCOC(=O)c1nc(-c2ccccc2Cl)n(-c2cccc(Cl)c2)c1-c1cccc(Cl)c1F

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 3/20 0.48
GABRA2 P47869 2/20 0.48
GABRB2 P47870 2/20 0.48
ALDH1A1 P00352 1/20 0.46
ELANE P08246 1/20 0.43
HTT P42858 1/20 0.42
PDE2A O00408 1/20 0.41
PDE10A Q9Y233 1/20 0.41
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
ADORA1 P30542 1/20 0.40
RIPK1 Q13546 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
SCHEMBL1440068 0.93 MDM2 (0.57) MDM2GABRA2GABRB2ALDH1A1ELANE
SCHEMBL1437124 0.89 MDM2 (0.59) MDM2GABRA2GABRB2ALDH1A1ELANE
SCHEMBL9893757 0.85 MDM2 (0.62) MDM2ALDH1A1RIPK1
SCHEMBL1436909 0.85 ALDH1A1 (0.43) MDM2GABRA2GABRB2ALDH1A1ELANE
SCHEMBL1437723 0.85 GABRA2 (0.50) MDM2GABRA2GABRB2ALDH1A1ELANE
SCHEMBL1437300 0.83 MDM2 (0.57) MDM2GABRA2GABRB2ALDH1A1ELANE
SCHEMBL27862823 0.83 MDM2 (0.56) MDM2GABRA2GABRB2ALDH1A1HPGD
SCHEMBL1441512 0.79 MDM2 (0.58) MDM2GABRA2GABRB2ALDH1A1ELANE
SCHEMBL9893742 0.79 MDM2 (0.72) MDM2GABRA2GABRB2ALDH1A1ELANE
SCHEMBL1442682 0.79 MDM2 (0.72) MDM2GABRA2GABRB2ALDH1A1TP53

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.