SCHEMBL13313409

SCHEMBL13313409

COc1cc2ccc(N)nc2c(OCc2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 3/20 0.43
MGMT P16455 3/20 0.43
CYP3A4 P08684 2/20 0.43
TPO P07202 1/20 0.43
EPX P11678 1/20 0.43
ALDH1A1 P00352 2/20 0.43
NUDT1 P36639 1/20 0.41
ATP4A P20648 1/20 0.41
ATP4B P51164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CDK1 P06493 2/20 0.39
CCNB1 P14635 2/20 0.39
CCNA2 P20248 2/20 0.39
CDK2 P24941 2/20 0.39
CCNA1 P78396 2/20 0.39
MAOB P27338 1/20 0.39
MCHR1 Q99705 1/20 0.39
PLAU P00749 1/20 0.39
MCL1 Q07820 1/20 0.38
BAK1 Q16611 1/20 0.38

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
SCHEMBL13313413 0.87 MCL1 (0.43) MPOMGMTCYP3A4TPOEPX
SCHEMBL13313411 0.85 ALDH1A1 (0.49) MPOMGMTCYP3A4TPOEPX
SCHEMBL13313406 0.81 CYP3A4 (0.46) MPOMGMTCYP3A4TPOEPX
SCHEMBL13313412 0.81 SQOR (0.43) MPOMGMTCYP3A4TPOEPX
SCHEMBL13313404 0.81 MCL1 (0.46) ALDH1A1MCL1BAK1LMNA
SCHEMBL13348571 0.78 MCHR1 (0.51) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL13313393 0.76 L3MBTL1 (0.43) MPOMGMTCYP3A4TPOEPX
SCHEMBL6175355 0.75 L3MBTL1 (0.46) MPOMGMTCYP3A4TPOEPX
SCHEMBL30271317 0.75 L3MBTL1 (0.46) MPOMGMTCYP3A4TPOEPX
SCHEMBL26660073 0.73 NUDT1 (0.67) MPOMGMTCYP3A4TPOEPX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160346-A1 NEUROLOGICALLY ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LIMITED (AU) 2010-06-24 US disclosed
US-7692011-B2 8-hydroxy and 8-mercapto quinazolinones PRANA BIOTECHNOLOGY LIMITED (AU) 2010-04-06 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-20100160346-A1 NEUROLOGICALLY ACTIVE COMPOUNDS ACHE, PSEN1, PSEN2 MPO 232/4885MGMT 3640/4885CYP3A4 3007/4885

“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.