SCHEMBL9893814

SCHEMBL9893814

CC(C)(C)Cc1nc(C(=O)O)c(-c2cccc(Cl)c2)n1-c1cccc(Cl)c1.[LiH]

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 6/20 0.64
PKM P14618 1/20 0.45
PIN1 Q13526 1/20 0.43
NOTUM Q6P988 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4C Q9H3R0 1/20 0.37
KMO O15229 1/20 0.37
SLC16A3 O15427 1/20 0.37
SLC16A1 P53985 1/20 0.37
MCTS1 Q9ULC4 1/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
GRM5 P41594 1/20 0.36
LTB4R Q15722 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
Lithium SCHEMBL9893816 0.98 MDM2 (0.64) MDM2PKMPIN1NOTUMGABRA2
SCHEMBL9894113 0.92 MDM2 (0.57) MDM2PKMPIN1GABRA2GABRB2
SCHEMBL9894396 0.89 MDM2 (0.52) MDM2PKMGABRA2GABRB2
Lithium Ion SCHEMBL9893815 0.88 MDM2 (0.51) MDM2PKMPIN1NOTUMGABRA2
SCHEMBL9893688 0.85 MDM2 (0.75) MDM2PKMPIN1GABRA2GABRB2
SCHEMBL9893786 0.85 MDM2 (0.51) MDM2GABRA2GABRB2ALDH1A1
SCHEMBL9893897 0.85 MDM2 (0.48) MDM2GABRA2GABRB2GRM5
SCHEMBL9894249 0.83 MDM2 (0.65) MDM2PKMPIN1NOTUMGABRA2
SCHEMBL1437344 0.82 MDM2 (0.70) MDM2PKMPIN1NOTUMGABRA2
SCHEMBL9893969 0.79 GABRA2 (0.47) MDM2GABRA2GABRB2KDM4EALDH1A1

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 2050/4885PIN1 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.