SCHEMBL9893637

SCHEMBL9893637

Cc1cccc(-c2nc(C(=O)O)c(-c3ccc(Cl)c(Cl)c3)n2-c2cc(Cl)ccc2C)c1

nearest known ligand 0.84

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 6/20 0.84
RPA1 P27694 1/20 0.42
POLB P06746 2/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PIN1 Q13526 2/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
KMO O15229 2/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GRM5 P41594 1/20 0.37
NOTUM Q6P988 1/20 0.37

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
SCHEMBL9894206 0.93 MDM2 (0.83) MDM2POLBTP53SMN1; SMN2PIN1
SCHEMBL9893927 0.92 MDM2 (1.00) MDM2POLBTP53SMN1; SMN2PIN1
SCHEMBL1437173 0.91 MDM2 (0.69) MDM2POLBTP53SMN1; SMN2MAPT
SCHEMBL9893945 0.89 MDM2 (0.79) MDM2RPA1POLBTP53SMN1; SMN2
SCHEMBL9893841 0.88 MDM2 (0.66) MDM2MAPT
SCHEMBL9894045 0.88 MDM2 (0.82) MDM2PIN1ATMKMOHTT
SCHEMBL1436973 0.87 MDM2 (0.89) MDM2POLBTP53SMN1; SMN2PIN1
SCHEMBL9893785 0.87 MDM2 (0.72) MDM2PIN1AKR1C2AKR1C1KMO
SCHEMBL1437137 0.86 MDM2 (0.87) MDM2POLBTP53PIN1MAPT
SCHEMBL1437079 0.86 MDM2 (0.66) MDM2TP53MAPTMAPK1KMO

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 2/4885RPA1 550/4885POLB 2312/4885

“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.