SCHEMBL1171019

SCHEMBL1171019

O=C(OCc1ccncc1)c1cc2occc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 2/20 0.51
▸ MMP2 P08253 3/20 0.42
▸ MMP13 P45452 2/20 0.42
▸ MMP14 P50281 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MAPT P10636 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MMP12 P39900 3/20 0.37
▸ MMP9 P14780 2/20 0.37
▸ MMP1 P03956 2/20 0.37
▸ GCGR P47871 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.36
▸ CYP17A1 P05093 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36

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
SCHEMBL1171151 0.87 DAO (0.57) DAOMMP2KDM4EKMT2AMMP12
SCHEMBL12903805 0.85 DAO (0.47) DAOMMP2MMP13MMP14KMT2A
SCHEMBL1171173 0.81 DAO (0.63) DAOMMP2MMP13MMP14KDM4E
SCHEMBL1171654 0.81 DAO (0.63) DAOMMP2MMP13MMP14KDM4E
SCHEMBL12864149 0.79 DAO (0.48) DAOKDM4EKMT2AMAPTPOLB
SCHEMBL1171490 0.78 DAO (0.59) DAOMMP2MMP13MMP14KDM4E
SCHEMBL12904062 0.78 DAO (0.59) DAOMMP2MMP13MMP14KDM4E
SCHEMBL1171015 0.78 DAO (0.59) DAOMMP2MMP13MMP14KDM4E
SCHEMBL1170929 0.77 DAO (0.58) DAOMMP2MMP13MMP14KDM4E
SCHEMBL12903430 0.76 DAO (0.56) DAOMMP2MMP13KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-02-10 — — US disclosed
US-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-02-10 — — US disclosed
US-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-02-10 — — US disclosed
WO-2011017634-A2 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACORE INC. (US) 2011-02-10 — — WO disclosed
US-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-05-13 — — US disclosed
US-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-05-13 — — 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 (2 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-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, AOC1 DAO 2/4885MMP2 1537/4885MMP13 3240/4885
US-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, AOC1 DAO 2/4885MMP2 1537/4885MMP13 3240/4885

“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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