SCHEMBL1440045

SCHEMBL1440045

CCOC(=O)C1(O)CN(c2cccc(Cl)c2)C(c2ccccc2)=N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 3/20 0.47
GABRB2 P47870 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
MDM2 Q00987 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
POLB P06746 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL23027868 0.90 GABRA2 (0.41) GABRA2GABRB2SMN1; SMN2ALDH1A1MAPT
SCHEMBL1437481 0.88 RXFP1 (0.42) GABRA2GABRB2SMN1; SMN2MDM2HTT
SCHEMBL1438204 0.88 SMN1; SMN2 (0.42) GABRA2GABRB2SMN1; SMN2HTTALDH1A1
SCHEMBL9894376 0.86 SMN1; SMN2 (0.41) GABRA2GABRB2SMN1; SMN2HTTALDH1A1
SCHEMBL9893922 0.85 MDM2 (0.44) GABRA2GABRB2SMN1; SMN2MDM2HTT
SCHEMBL9893887 0.83 CYP1A2 (0.46) GABRA2GABRB2SMN1; SMN2HTTALDH1A1
SCHEMBL9893993 0.81 MDM2 (0.43) GABRA2GABRB2SMN1; SMN2MDM2ALDH1A1
SCHEMBL9893919 0.80 SMN1; SMN2 (0.43) GABRA2GABRB2SMN1; SMN2HTTALDH1A1
SCHEMBL1437578 0.80 SMN1; SMN2 (0.45) GABRA2GABRB2SMN1; SMN2HTTALDH1A1
SCHEMBL1437656 0.79 ADORA3 (0.37) GABRA2GABRB2SMN1; SMN2ALDH1A1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470502-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS Novartis AG (CH) 2012-07-04 EP disclosed
US-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS NOVARTIS AG (CH) 2012-06-14 US disclosed
WO-2011023677-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS NOVARTIS AG (CH) 2011-03-03 WO 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 4278/4885SMN1; SMN2 886/4885

“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.