SCHEMBL9893940

SCHEMBL9893940

COc1ccc(Cl)cc1-c1c(C(=O)O)nc(C2CCCCC2)n1-c1cccc(Cl)c1F

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 15/20 0.67
ATM Q13315 1/20 0.39
TLR9 Q9NR96 1/20 0.39
NOTUM Q6P988 1/20 0.39
DRD1 P21728 1/20 0.38
DRD5 P21918 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGER1 P34995 1/20 0.38
MDM4 O15151 2/20 0.38

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
SCHEMBL9894458 0.90 MDM2 (0.54) MDM2GAAMAPTHPGDSMN1; SMN2
SCHEMBL1436827 0.85 MDM2 (0.65) MDM2NOTUMPTGER1MDM4
SCHEMBL9893747 0.82 MDM2 (0.76) MDM2NOTUM
SCHEMBL9894220 0.82 MDM2 (0.70) MDM2NOTUMHPGDPTGER1MDM4
SCHEMBL1436895 0.81 MDM2 (0.60) MDM2DRD1
SCHEMBL9893723 0.80 MDM2 (1.00) MDM2NOTUM
SCHEMBL9893923 0.80 MDM2 (0.63) MDM2NOTUMMAPTHPGDMDM4
SCHEMBL9894211 0.79 MDM2 (0.55) MDM2NOTUMHPGDMDM4
SCHEMBL9894347 0.79 MDM2 (0.53) MDM2HPGDMDM4
SCHEMBL1437213 0.78 MDM2 (0.52) MDM2MDM4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470502-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS Novartis AG (CH) 2012-07-04 EP disclosed
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 2/4885ATM 660/4885TLR9 4396/4885

“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.