SCHEMBL9893557

SCHEMBL9893557

CCOC(=O)c1nc(C2CCCCC2)n(-c2cc(Cl)ccc2C)c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 3/20 0.40
GABRB2 P47870 3/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.40
GABRG2 P18507 3/20 0.39
GABRB3 P28472 3/20 0.39
GABRA5 P31644 3/20 0.39
GABRA1 P14867 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRA6 Q16445 1/20 0.39
MDM2 Q00987 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
OGFRL1 Q5TC84 3/20 0.38
OPRM1 P35372 2/20 0.38
OPRK1 P41145 2/20 0.38
OPRD1 P41143 1/20 0.38
TP53 P04637 1/20 0.38
KCNJ6 P48051 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
SCHEMBL9894059 0.89 PTGDR2 (0.40) GABRA2GABRB2MDM2OGFRL1OPRM1
SCHEMBL1437446 0.88 KDM4E (0.40) GABRA2GABRB2LMNAMAPTMDM2
SCHEMBL1437051 0.84 MDM2 (0.56) GABRA2GABRB2MDM2OGFRL1OPRM1
SCHEMBL9894410 0.83 BCL9 (0.40) MDM2MEN1KMT2ATP53
SCHEMBL1437160 0.82 MDM2 (0.59) GABRA2GABRB2MAPTMDM2
SCHEMBL9893701 0.82 MDM2 (0.53) LMNAMDM2OGFRL1OPRM1OPRK1
SCHEMBL1437530 0.81 MDM2 (0.37) GABRA2GABRB2LMNAMAPTGABRG2
SCHEMBL1437622 0.79 GABRA2 (0.52) GABRA2GABRB2MAPTMDM2
SCHEMBL9893835 0.79 MDM2 (0.60) GABRA2GABRB2LMNAMAPTMDM2
SCHEMBL1437572 0.78 GABRA2 (0.52) GABRA2GABRB2LMNAMAPT

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 GABRA2 4293/4885GABRB2 4278/4885LMNA 1567/4885

“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.