SCHEMBL16231708

SCHEMBL16231708

O=c1cc(/C=C/c2ccccc2)[nH]nc1O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.54
▸ NPC1 O15118 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ PTGS2 P35354 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ APP P05067 3/20 0.44
▸ CHEK1 O14757 3/20 0.40
▸ PTGS1 P23219 2/20 0.40
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ TTR P02766 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ PTPN1 P18031 1/20 0.39
▸ HNF4A P41235 1/20 0.39
▸ KDR P35968 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
SCHEMBL9454573 0.78 POLB (0.70) DAONPC1POLBRAB9APTGS2
SCHEMBL9454564 0.78 POLB (0.70) DAONPC1POLBRAB9APTGS2
SCHEMBL14342571 0.73 PTGS2 (0.68) DAONPC1POLBRAB9APTGS2
SCHEMBL1793303 0.72 PTGS2 (0.87) NPC1POLBRAB9APTGS2KDM4E
SCHEMBL1793302 0.72 PTGS2 (0.87) NPC1POLBRAB9APTGS2KDM4E
SCHEMBL1793300 0.72 PTGS2 (0.87) NPC1POLBRAB9APTGS2KDM4E
SCHEMBL14342572 0.72 PTGS2 (0.87) NPC1POLBRAB9APTGS2KDM4E
SCHEMBL27773488 0.72 POLB (0.50) DAONPC1POLBRAB9APTGS2
SCHEMBL29798905 0.70 POLB (0.53) NPC1POLBRAB9APTGS2KDM4E
Hydrochloric Acid SCHEMBL9454613 0.70 POLB (0.49) DAONPC1POLBRAB9APTGS2

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-9212147-B2 Dihydroxy aromatic heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-15 — — US disclosed
US-9212147-B2 Dihydroxy aromatic heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-15 — — US disclosed
US-20140336165-A1 DIHYDROXY AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2014-11-13 — — US disclosed
US-20140336165-A1 DIHYDROXY AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2014-11-13 — — 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-20140336165-A1 DIHYDROXY AROMATIC HETEROCYCLIC COMPOUND DAO, DDO, DDC DAO 1/4885NPC1 4160/4885POLB 2521/4885

“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.

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