SCHEMBL16231925

SCHEMBL16231925

O=c1[nH]nc(CCc2ccc(Cl)c(C(F)(F)F)c2)cc1O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.43
AURKB Q96GD4 3/20 0.43
P2RX7 Q99572 2/20 0.42
DAO P14920 2/20 0.42
IDO1 P14902 2/20 0.41
NOTUM Q6P988 2/20 0.41
CYP1A2 P05177 1/20 0.41
KDM4A O75164 1/20 0.40
KDM5A P29375 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
KMT2A Q03164 1/20 0.38
FAAH O00519 1/20 0.38
KCNN4 O15554 1/20 0.38

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
SCHEMBL14726517 0.90 DAO (0.53) GPR84AURKBP2RX7DAONOTUM
SCHEMBL14719044 0.89 DAO (0.50) GPR84AURKBDAO
SCHEMBL16231932 0.86 NR3C2 (0.45) P2RX7DAO
SCHEMBL16231992 0.84 DAO (0.49) DAO
SCHEMBL14719586 0.84 DAO (0.52) P2RX7DAO
SCHEMBL16231905 0.84 DAO (0.41) DAO
SCHEMBL14718624 0.83 DAO (0.53) DAONOTUM
SCHEMBL30159699 0.83 DAO (0.53) DAONOTUM
SCHEMBL16231912 0.81 PARP1 (0.45) DAO
Luvadaxistat SCHEMBL14719667 0.81 DAO (0.48) GPR84DAO

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 GPR84 773/4885AURKB 4052/4885P2RX7 238/4885
US-10202399-B2 Dihydroxy aromatic heterocyclic compound DAO, DDO, DDC GPR84 717/4885AURKB 4149/4885P2RX7 226/4885
US-20140336165-A1 DIHYDROXY AROMATIC HETEROCYCLIC COMPOUND DAO, DDO, DDC GPR84 717/4885AURKB 4149/4885P2RX7 226/4885
US-20170107226-A1 DIHYDROXY AROMATIC HETEROCYCLIC COMPOUND DAO, DDO, DDC GPR84 717/4885AURKB 4149/4885P2RX7 226/4885

“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.