SCHEMBL9893863

SCHEMBL9893863

CCOC(=O)c1nc(-c2ccccc2)[nH]c1-c1cccc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 3/20 0.56
ALOX5 P09917 3/20 0.55
GABRA2 P47869 2/20 0.54
GABRB2 P47870 2/20 0.54
PTGES O14684 1/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
XBP1 P17861 1/20 0.53
CSF1R P07333 1/20 0.50
TRPM8 Q7Z2W7 1/20 0.50
CYP2C9 P11712 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
SIRT3 Q9NTG7 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
MAPK13 O15264 1/20 0.46
RAF1 P04049 1/20 0.46
MAPK12 P53778 1/20 0.46

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
SCHEMBL28582964 0.88 TARBP2 (0.54) PIN1ALOX5GABRA2GABRB2CYP1A2
SCHEMBL9050658 0.87 ALOX5 (0.56) PIN1ALOX5GABRA2GABRB2PTGES
SCHEMBL28583499 0.87 PIN1 (0.56) PIN1ALDH1A1HPGDMAPK13RAF1
SCHEMBL17283682 0.83 ALDH1A1 (0.45) PIN1ALOX5CYP1A2CYP2C19ALDH1A1
SCHEMBL19727272 0.79 TARBP2 (0.45) PIN1GABRA2GABRB2ALDH1A1HPGD
SCHEMBL27475261 0.79 PIN1 (0.68) PIN1GABRA2GABRB2CYP1A2CYP2C19
SCHEMBL7989950 0.78 MAPK13 (0.51) PIN1ALOX5ALDH1A1HPGDMAPK13
SCHEMBL6473195 0.78 TARBP2 (0.51) ALOX5GABRA2GABRB2PTGESCYP1A2
SCHEMBL7988443 0.78 PRMT5 (0.56) GABRA2GABRB2ALDH1A1HPGDSIRT2
SCHEMBL7989862 0.77 AR (0.54) ALDH1A1MAPK14TARBP2

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 PIN1 844/4885ALOX5 4606/4885GABRA2 4293/4885

“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.