SCHEMBL13313481

SCHEMBL13313481

NCc1[nH]c(=O)c2cccnc2c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 5/20 0.50
▸ HSP90AA1 P07900 6/20 0.44
▸ HSP90AB1 P08238 2/20 0.44
▸ AURKA O14965 1/20 0.41
▸ MMP14 P50281 3/20 0.41
▸ KDM4E B2RXH2 8/20 0.41
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ TP53 P04637 4/20 0.41
▸ HTT P42858 4/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ TDP1 Q9NUW8 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ ALOX15 P16050 3/20 0.41
▸ SLC6A2 P23975 3/20 0.41
▸ USP2 O75604 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ HIF1A Q16665 3/20 0.41
▸ HSD17B10 Q99714 2/20 0.41

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
SCHEMBL13439341 0.79 PARP1 (0.44) PARP1HSP90AA1HSP90AB1AURKAMMP14
SCHEMBL13348653 0.76 PARP1 (0.54) PARP1HSP90AA1HSP90AB1AURKAMMP14
SCHEMBL13313484 0.74 PARP1 (0.51) PARP1HSP90AA1HSP90AB1AURKAMMP14
SCHEMBL13313483 0.73 PARP1 (0.50) PARP1HSP90AA1HSP90AB1AURKAMMP14
SCHEMBL13313480 0.70 PARP1 (0.47) PARP1HSP90AA1HSP90AB1AURKAMMP14
SCHEMBL4060250 0.70 KDM4E (0.65) PARP1AURKAKDM4EALDH1A1HTT
SCHEMBL3248002 0.69 HCAR2 (0.62) —
SCHEMBL28596172 0.69 PARP1 (0.46) PARP1AURKAKDM4ECYP2D6CYP2C9
SCHEMBL14933613 0.68 PARP1 (0.77) PARP1HSP90AA1AURKAKDM4EMEN1
SCHEMBL3241364 0.68 KDM4E (0.61) HSP90AA1HSP90AB1MMP14KDM4EMEN1

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 4 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-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
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 PARP1 3308/4885HSP90AA1 1574/4885HSP90AB1 1295/4885

“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.

Send feedback