SCHEMBL16228971

SCHEMBL16228971

O=c1[nH]nc(/C=C/c2ccc(Cl)cc2)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.50
▸ AHR P35869 1/20 0.44
▸ DAO P14920 1/20 0.44
▸ ALOX5 P09917 2/20 0.42
▸ MMP9 P14780 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ APP P05067 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ STAT3 P40763 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ PRKCE Q02156 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ PRKCQ Q04759 1/20 0.42
▸ PRKCD Q05655 1/20 0.42
▸ CAMK2A Q9UQM7 1/20 0.42
▸ PTGS1 P23219 1/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ NPC1 O15118 4/20 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
SCHEMBL16228972 1.00 PTGS2 (0.50) PTGS2AHRDAOALOX5MMP9
SCHEMBL28949611 0.84 KDM4E (0.57) PTGS2DAOALOX5MMP9MAPT
SCHEMBL28049926 0.78 PTGS2 (0.43) PTGS2ALOX5MMP9MAPTAPP
SCHEMBL28825766 0.78 PTGS2 (0.43) PTGS2DAOALOX5MMP9MAPT
SCHEMBL28049929 0.73 MMP9 (0.43) PTGS2DAOALOX5MMP9MAPT
SCHEMBL3851311 0.71 APP (0.85) PTGS2ALOX5MMP9MAPTAPP
SCHEMBL3851319 0.71 APP (0.85) PTGS2ALOX5MMP9MAPTAPP
SCHEMBL3851315 0.71 APP (0.85) PTGS2ALOX5MMP9MAPTAPP
SCHEMBL28050047 0.70 DAO (0.43) PTGS2DAOALOX5MMP9MAPT
SCHEMBL14719355 0.68 LMNA (0.49) DAOMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10202399-B2 Dihydroxy aromatic heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-02-12 — — US disclosed
US-10202399-B2 Dihydroxy aromatic heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-02-12 — — US disclosed
US-20170107226-A1 DIHYDROXY AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2017-04-20 — — US disclosed
US-20170107226-A1 DIHYDROXY AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2017-04-20 — — US disclosed
US-20170107226-A1 DIHYDROXY AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2017-04-20 — — US disclosed
US-9562020-B2 Dihydroxy aromatic heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-02-07 — — US disclosed
US-9562020-B2 Dihydroxy aromatic heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-02-07 — — US disclosed
US-9562020-B2 Dihydroxy aromatic heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-02-07 — — US disclosed
US-20160039771-A1 DIHYDROXY AROMATIC HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2016-02-11 — — US disclosed
US-20160039771-A1 DIHYDROXY AROMATIC HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2016-02-11 — — US disclosed
US-20160039771-A1 DIHYDROXY AROMATIC HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2016-02-11 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20160039771-A1 DIHYDROXY AROMATIC HETEROCYCLIC COMPOUND DAO, DDO, DDC PTGS2 2086/4885AHR 83/4885DAO 1/4885
US-10202399-B2 Dihydroxy aromatic heterocyclic compound DAO, DDO, DDC PTGS2 2007/4885AHR 78/4885DAO 1/4885
US-20140336165-A1 DIHYDROXY AROMATIC HETEROCYCLIC COMPOUND DAO, DDO, DDC PTGS2 2007/4885AHR 78/4885DAO 1/4885
US-20170107226-A1 DIHYDROXY AROMATIC HETEROCYCLIC COMPOUND DAO, DDO, DDC PTGS2 2007/4885AHR 78/4885DAO 1/4885

“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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