SCHEMBL13313404

SCHEMBL13313404

COc1cc2ccc(C(=O)O)nc2c(OCc2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.46
BAK1 Q16611 1/20 0.46
P4HTM Q9NXG6 1/20 0.45
PTGER1 P34995 3/20 0.45
ALDH1A1 P00352 1/20 0.40
ECE1 P42892 2/20 0.40
SRD5A1 P18405 2/20 0.40
SRD5A2 P31213 2/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PABPC1 P11940 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
RXRA P19793 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
SCHEMBL13313411 0.82 ALDH1A1 (0.49) MCL1BAK1ALDH1A1MEN1KMT2A
SCHEMBL13348568 0.81 TDP1 (0.40) ALDH1A1LMNATDP1MEN1KMT2A
SCHEMBL13313413 0.81 MCL1 (0.43) MCL1BAK1ALDH1A1LMNA
SCHEMBL13313409 0.81 MPO (0.43) MCL1BAK1ALDH1A1LMNA
SCHEMBL13313406 0.78 CYP3A4 (0.46) MCL1BAK1ALDH1A1MEN1KMT2A
SCHEMBL13313412 0.78 SQOR (0.43) MCL1BAK1ALDH1A1LMNA
SCHEMBL6588810 0.72 PTGER1 (0.50) MCL1P4HTMPTGER1ALDH1A1MEN1
SCHEMBL24983586 0.72 P4HTM (0.55) MCL1P4HTMPTGER1MEN1KMT2A
SCHEMBL30892452 0.72 P4HTM (0.55) MCL1P4HTMPTGER1MEN1KMT2A
SCHEMBL18348290 0.71 MRGPRX4 (0.50) MCL1P4HTMSRD5A1SRD5A2MRGPRX4

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 MCL1 4710/4885BAK1 1460/4885P4HTM 3825/4885

“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.