SCHEMBL9893877

SCHEMBL9893877

COc1ccc(Cl)cc1-c1c(C(=O)O)nc(-c2ccccc2)n1-c1cccc(Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 5/20 0.68
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
CTSA P10619 2/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
ESR1 P03372 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
CYP2C9 P11712 1/20 0.43
PTGER1 P34995 1/20 0.43
TUBB4A P04350 2/20 0.42
TUBB P07437 2/20 0.42
TUBA3C P0DPH7 2/20 0.42
TUBA1B P68363 2/20 0.42

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
SCHEMBL9893962 0.90 MDM2 (0.54) MDM2NPSR1CTSAGABRA2GABRB2
SCHEMBL9893820 0.90 MDM2 (0.54) MDM2NPSR1CTSAGABRA2GABRB2
SCHEMBL9894220 0.87 MDM2 (0.70) MDM2CTSATP53PTGER1ALDH1A1
SCHEMBL9893677 0.86 MDM2 (0.70) MDM2CTSAMAPTMAPK1PTGER1
SCHEMBL9894203 0.83 MDM2 (0.73) MDM2NPSR1CTSALMNATP53
SCHEMBL9893923 0.83 MDM2 (0.63) MDM2NPSR1CTSALMNATP53
SCHEMBL9893755 0.82 MDM2 (0.61) MDM2NPSR1CTSALMNATP53
SCHEMBL9894052 0.81 MDM2 (1.00) MDM2PKMGABRA2GABRB2LMNA
SCHEMBL1438284 0.80 MDM2 (0.60) MDM2NPSR1CTSAUSP2LMNA
SCHEMBL1438067 0.79 MDM2 (0.90) MDM2PKMGABRA2GABRB2LMNA

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 2/4885PKM 2050/4885NPSR1 2431/4885

“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.