SCHEMBL9893845

SCHEMBL9893845

O=C(O)c1nc(-c2ccsc2)n(-c2cccc(Cl)c2F)c1-c1ccc(F)c(Cl)c1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 10/20 0.79
NOTUM Q6P988 1/20 0.41
KMO O15229 3/20 0.36
DHODH Q02127 1/20 0.36
RPA1 P27694 1/20 0.36
HSD17B14 Q9BPX1 1/20 0.35

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
SCHEMBL9894004 0.92 MDM2 (0.67) MDM2NOTUMHSD17B14
SCHEMBL9893656 0.90 MDM2 (0.63) MDM2NOTUM
SCHEMBL9893724 0.89 MDM2 (1.00) MDM2NOTUMKMORPA1
SCHEMBL1437232 0.88 MDM2 (0.61) MDM2
SCHEMBL28796347 0.87 MDM2 (0.88) MDM2NOTUMKMORPA1
SCHEMBL9894099 0.86 MDM2 (0.59) MDM2NOTUM
SCHEMBL1437176 0.86 MDM2 (0.90) MDM2NOTUMKMORPA1
SCHEMBL9893866 0.85 MDM2 (0.62) MDM2KMODHODH
SCHEMBL9893643 0.85 MDM2 (0.88) MDM2NOTUMKMORPA1
SCHEMBL1437111 0.85 MDM2 (0.76) MDM2NOTUMKMORPA1

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 2/4885NOTUM 4675/4885KMO 857/4885

“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.