SCHEMBL9894376

SCHEMBL9894376

CCOC(=O)C1(O)CN(c2cccc(Cl)c2)C(c2ccccc2F)=N1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.39
ALDH1A1 P00352 3/20 0.39
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
MGLL Q99685 3/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
THRB P10828 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.36
CASP3 P42574 1/20 0.36
SLC26A6 Q9BXS9 1/20 0.35

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
SCHEMBL1438204 0.90 SMN1; SMN2 (0.42) SMN1; SMN2HTTALDH1A1GABRA2GABRB2
SCHEMBL1440045 0.86 GABRA2 (0.47) SMN1; SMN2HTTALDH1A1GABRA2GABRB2
SCHEMBL10002384 0.84 MAPT (0.41) SMN1; SMN2HTTALDH1A1MAPTMEN1
SCHEMBL1437481 0.80 RXFP1 (0.42) SMN1; SMN2HTTALDH1A1GABRA2GABRB2
SCHEMBL5349522 0.80 CNR1 (0.39) SMN1; SMN2HTTALDH1A1MAPTLMNA
SCHEMBL9893887 0.78 CYP1A2 (0.46) SMN1; SMN2HTTALDH1A1GABRA2GABRB2
SCHEMBL5359284 0.78 CNR1 (0.42) SMN1; SMN2MAPTPOLB
SCHEMBL1437578 0.77 SMN1; SMN2 (0.45) SMN1; SMN2HTTALDH1A1GABRA2GABRB2
SCHEMBL9893919 0.77 SMN1; SMN2 (0.43) SMN1; SMN2HTTALDH1A1GABRA2GABRB2
SCHEMBL23027868 0.75 GABRA2 (0.41) SMN1; SMN2ALDH1A1GABRA2GABRB2MAPT

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 SMN1; SMN2 886/4885HTT 82/4885ALDH1A1 4361/4885

“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.