SCHEMBL13313445

SCHEMBL13313445

O=C(O)c1cc(O)c2nc(C(=O)O)cc(O)c2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.52
TSHR P16473 2/20 0.52
HIF1A Q16665 1/20 0.52
KDM4E B2RXH2 4/20 0.48
KMT2A Q03164 1/20 0.48
GPR35 Q9HC97 2/20 0.46
TDP1 Q9NUW8 4/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 1/20 0.43
ACMSD Q8TDX5 1/20 0.42
HCAR2 Q8TDS4 3/20 0.40
DAO P14920 1/20 0.40
LMNA P02545 2/20 0.39
IGFBP3 P17936 4/20 0.39
IGFBP5 P24593 2/20 0.39
IGFBP1 P08833 1/20 0.39
IGFBP2 P18065 1/20 0.39
IGFBP4 P22692 1/20 0.39
IGFBP6 P24592 1/20 0.39
CA12 O43570 1/20 0.37

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
SCHEMBL13271058 0.88 KDM4E (0.47) ALOX15TSHRHIF1AKDM4EKMT2A
SCHEMBL10717399 0.82 ALOX15 (0.41) ALOX15TSHRHIF1AKDM4EKMT2A
SCHEMBL31550535 0.82 ALOX15 (0.41) ALOX15TSHRHIF1AKDM4EKMT2A
SCHEMBL31550536 0.82 ALOX15 (0.41) ALOX15TSHRHIF1AKDM4EKMT2A
Bromide SCHEMBL28861978 0.80 ALOX15 (0.39) ALOX15TSHRHIF1AKDM4EKMT2A
SCHEMBL6080771 0.79 GPR35 (0.46) ALOX15TSHRHIF1AKDM4EKMT2A
SCHEMBL6080581 0.79 GPR35 (0.39) ALOX15TSHRHIF1AKDM4EKMT2A
SCHEMBL6081026 0.79 GPR35 (0.39) ALOX15TSHRHIF1AKDM4EKMT2A
SCHEMBL6080551 0.76 KDM4E (0.39) ALOX15TSHRHIF1AKDM4EKMT2A
SCHEMBL11380446 0.76 ALOX15 (0.48) ALOX15TSHRHIF1AKDM4EKMT2A

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 ALOX15 2133/4885TSHR 4642/4885HIF1A 3799/4885

“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.