SCHEMBL9893657

SCHEMBL9893657

Cc1cccc(-c2nc(C(=O)O)c(-c3cccc(Cl)c3F)n2-c2cc(Cl)ccc2C)c1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 6/20 0.73
NOTUM Q6P988 1/20 0.38
PIN1 Q13526 2/20 0.37
ATM Q13315 1/20 0.37
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CTSA P10619 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KMO O15229 2/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.35
GRIN2B Q13224 2/20 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
SCHEMBL27862828 0.93 MDM2 (0.63) MDM2NOTUMTP53SMN1; SMN2CTSA
SCHEMBL1441512 0.89 MDM2 (0.58) MDM2MAPTALDH1A1
SCHEMBL27862830 0.88 MDM2 (0.61) MDM2NOTUMTP53SMN1; SMN2CTSA
SCHEMBL9893945 0.88 MDM2 (0.79) MDM2NOTUMPIN1ATMTP53
SCHEMBL9894206 0.86 MDM2 (0.83) MDM2PIN1ATMTP53SMN1; SMN2
SCHEMBL9893871 0.85 MDM2 (0.77) MDM2PIN1ATMTP53SMN1; SMN2
SCHEMBL9893927 0.85 MDM2 (1.00) MDM2PIN1ATMTP53SMN1; SMN2
SCHEMBL9893637 0.83 MDM2 (0.84) MDM2NOTUMPIN1ATMTP53
SCHEMBL1438150 0.83 MDM2 (0.88) MDM2NOTUMPIN1THRBALDH1A1
SCHEMBL9894203 0.83 MDM2 (0.73) MDM2TP53SMN1; SMN2CTSAMAPT

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 2/4885NOTUM 4675/4885PIN1 844/4885

“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.