SCHEMBL16232018

SCHEMBL16232018

O=c1[nH]nc(CCc2ccc(F)c3ccccc23)cc1O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DAO P14920 5/20 0.41
AR P10275 2/20 0.40
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ENPP1 P22413 1/20 0.38
DDO Q99489 1/20 0.38
HSP90AA1 P07900 1/20 0.36
PARP1 P09874 7/20 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
SCHEMBL30159720 0.85 DAO (0.57) DAOARKDM4EHSP90AA1PARP1
SCHEMBL14719422 0.85 DAO (0.57) DAOARKDM4EHSP90AA1PARP1
SCHEMBL16232020 0.84 DAO (0.37) DAOARHSP90AA1PARP1
SCHEMBL16228611 0.83 DAO (0.53) DAO
SCHEMBL16231994 0.83 SLC2A1 (0.44) DAOARLMNAHPGDKDM4E
SCHEMBL16232025 0.82 DAO (0.39) DAOLMNAHTTNPSR1
SCHEMBL14718360 0.81 DAO (0.48) DAOMAPTENPP1DDO
SCHEMBL30159648 0.81 DAO (0.48) DAOMAPTENPP1DDO
SCHEMBL16231938 0.81 DAO (0.40) DAOARMAPTDDOHSP90AA1
SCHEMBL16231893 0.80 CXCR2 (0.46) DAOARDDOHSP90AA1

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 11 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-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-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-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 (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 DAO 1/4885AR 2902/4885LMNA 4774/4885
US-10202399-B2 Dihydroxy aromatic heterocyclic compound DAO, DDO, DDC DAO 1/4885AR 2899/4885LMNA 4772/4885
US-20140336165-A1 DIHYDROXY AROMATIC HETEROCYCLIC COMPOUND DAO, DDO, DDC DAO 1/4885AR 2899/4885LMNA 4772/4885
US-20170107226-A1 DIHYDROXY AROMATIC HETEROCYCLIC COMPOUND DAO, DDO, DDC DAO 1/4885AR 2899/4885LMNA 4772/4885

“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.