SCHEMBL9893887

SCHEMBL9893887

CCOC(=O)C1(O)CN(c2cccc(Cl)c2)C(Cc2ccccc2)=N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 2/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
LMNA P02545 3/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 3/20 0.40
ALOX12 P18054 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 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
SCHEMBL9893919 0.84 SMN1; SMN2 (0.43) MAPTPOLBSMN1; SMN2GABRA2GABRB2
SCHEMBL1437578 0.84 SMN1; SMN2 (0.45) MAPTPOLBSMN1; SMN2GABRA2GABRB2
SCHEMBL1440045 0.83 GABRA2 (0.47) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1437580 0.83 MAPT (0.43) MAPTPOLBSMN1; SMN2L3MBTL1KMT2A
SCHEMBL4893179 0.80 POLB (0.39) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1438204 0.80 SMN1; SMN2 (0.42) MAPTPOLBSMN1; SMN2GABRA2GABRB2
SCHEMBL9894376 0.78 SMN1; SMN2 (0.41) MAPTPOLBSMN1; SMN2GABRA2GABRB2
SCHEMBL1437691 0.72 OPRM1 (0.39) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL23027868 0.72 GABRA2 (0.41) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL1437481 0.72 RXFP1 (0.42) CYP1A2CYP2C9CYP2C19MAPTPOLB

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 CYP1A2 1912/4885CYP3A4 348/4885CYP2D6 1204/4885

“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.