SCHEMBL9894045

SCHEMBL9894045

Cc1ccc(Cl)cc1-n1c(-c2cccc(Cl)c2)nc(C(=O)O)c1-c1ccc(F)c(Cl)c1

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 7/20 0.82
PIN1 Q13526 1/20 0.42
MARS1 P56192 1/20 0.39
ATM Q13315 1/20 0.39
KMO O15229 2/20 0.38
CTSA P10619 1/20 0.37
PKM P14618 1/20 0.37
PTGER4 P35408 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
EGFR P00533 1/20 0.36
TSPO P30536 1/20 0.36

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 0.95 MDM2 (0.83) MDM2PIN1MARS1ATMKMO
SCHEMBL9893692 0.92 MDM2 (0.68) MDM2MARS1KMOHTTGABRA2
SCHEMBL27879166 0.91 MDM2 (0.69) MDM2MARS1KMOKDM4ELMNA
SCHEMBL1437137 0.91 MDM2 (0.87) MDM2PIN1ATMPKMPTGER4
SCHEMBL1443425 0.90 MDM2 (1.00) MDM2PIN1ATMPKMPTGER4
SCHEMBL1436973 0.89 MDM2 (0.89) MDM2PIN1ATMPKMPTGER4
SCHEMBL9893927 0.89 MDM2 (1.00) MDM2PIN1ATMPKMPTGER4
SCHEMBL9893785 0.89 MDM2 (0.72) MDM2PIN1MARS1KMOGABRA2
SCHEMBL1437102 0.88 MDM2 (0.64) MDM2GABRA2GABRB2
SCHEMBL27879169 0.88 MDM2 (0.69) MDM2MARS1KMOCTSALMNA

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 2/4885PIN1 844/4885MARS1 418/4885

“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.