SCHEMBL9893939

SCHEMBL9893939

Cn1ccc2ccc(-c3nc(CO)c(-c4ccc(F)c(Cl)c4)n3-c3cccc(Cl)c3F)cc21

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 8/20 0.54
TRPV3 Q8NET8 2/20 0.40
SLC16A3 O15427 1/20 0.35
SLC16A1 P53985 1/20 0.35
KCNH2 Q12809 2/20 0.34
NOTUM Q6P988 1/20 0.33
OPRL1 P41146 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
OPRM1 P35372 1/20 0.33
HSD11B1 P28845 1/20 0.32

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
SCHEMBL1437078 0.86 MDM2 (0.63) MDM2TRPV3SLC16A3SLC16A1NOTUM
SCHEMBL1437076 0.86 MDM2 (0.75) MDM2TRPV3SLC16A3SLC16A1NOTUM
SCHEMBL9894084 0.85 MDM2 (0.72) MDM2TRPV3NOTUM
SCHEMBL9893966 0.83 MDM2 (0.59) MDM2SLC16A3SLC16A1
SCHEMBL9893644 0.82 MDM2 (0.60) MDM2TRPV3
SCHEMBL1437365 0.80 MDM2 (0.74) MDM2TRPV3NOTUMHSD11B1
SCHEMBL28796359 0.80 MDM2 (0.53) MDM2TRPV3SLC16A3SLC16A1NOTUM
SCHEMBL1437209 0.77 MDM2 (0.58) MDM2HSD11B1
SCHEMBL9893622 0.72 MDM2 (0.66) MDM2
SCHEMBL1437606 0.72 MDM2 (0.54) MDM2TRPV3OPRL1OPRM1

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
CN-102574785-A Tetra-substituted heteroaryl compounds and their use as MDM2 and/or MDM4 modulators NOVARTIS AG 2012-07-11 CN 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 2/4885TRPV3 4410/4885SLC16A3 2706/4885

“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.