SCHEMBL9893945

SCHEMBL9893945

Cc1cccc(-c2nc(C(=O)O)c(-c3cc(Cl)ccc3Cl)n2-c2cc(Cl)ccc2C)c1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 5/20 0.79
PIN1 Q13526 2/20 0.40
ATM Q13315 1/20 0.39
RPA1 P27694 1/20 0.39
HTT P42858 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
NOTUM Q6P988 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
MAPT P10636 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
EGFR P00533 1/20 0.37
CNR1 P21554 1/20 0.37
THRB P10828 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
SCHEMBL9893871 0.91 MDM2 (0.77) MDM2PIN1ATMHTTALDH1A1
SCHEMBL9893637 0.89 MDM2 (0.84) MDM2PIN1ATMRPA1HTT
SCHEMBL9893927 0.88 MDM2 (1.00) MDM2PIN1ATMHTTALDH1A1
SCHEMBL9893761 0.88 MDM2 (0.62) MDM2MAPTGABRA2GABRB2
SCHEMBL9894203 0.88 MDM2 (0.73) MDM2HTTALDH1A1TP53SMN1; SMN2
SCHEMBL9893657 0.88 MDM2 (0.73) MDM2PIN1ATMALDH1A1TP53
SCHEMBL9894206 0.86 MDM2 (0.83) MDM2PIN1ATMALDH1A1TP53
SCHEMBL1437312 0.84 MDM2 (0.74) MDM2PIN1HTTALDH1A1TP53
SCHEMBL1443425 0.82 MDM2 (1.00) MDM2PIN1ATMHTTTP53
SCHEMBL1436973 0.82 MDM2 (0.89) MDM2PIN1ATMHTTTP53

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 2/4885PIN1 844/4885ATM 660/4885

“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.