SCHEMBL9893785

SCHEMBL9893785

Cc1cccc(-c2nc(C(=O)O)c(-c3ccc(F)c(Cl)c3)n2-c2cc(Cl)ccc2F)c1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 8/20 0.72
MARS1 P56192 1/20 0.40
PIN1 Q13526 2/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
KMO O15229 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
SCN9A Q15858 2/20 0.37
EGFR P00533 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 0.94 MDM2 (0.83) MDM2MARS1PIN1AKR1C2AKR1C1
SCHEMBL1437064 0.94 MDM2 (0.82) MDM2PIN1ALDH1A1GABRA2GABRB2
SCHEMBL27862924 0.91 MDM2 (0.66) MDM2MARS1KMOGABRA2GABRB2
SCHEMBL9893643 0.90 MDM2 (0.88) MDM2PIN1AKR1C2AKR1C1KMO
SCHEMBL27879117 0.89 MDM2 (0.72) MDM2PIN1GABRA2GABRB2EGFR
SCHEMBL9894045 0.89 MDM2 (0.82) MDM2MARS1PIN1KMOGABRA2
SCHEMBL9893935 0.88 MDM2 (0.56) MDM2GABRA2GABRB2
SCHEMBL9893637 0.87 MDM2 (0.84) MDM2PIN1AKR1C2AKR1C1KMO
SCHEMBL27862925 0.86 MDM2 (0.65) MDM2MARS1KMO
SCHEMBL27879166 0.85 MDM2 (0.69) MDM2MARS1KMOGABRA2GABRB2

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 2/4885MARS1 418/4885PIN1 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.