SCHEMBL14486090

SCHEMBL14486090

O=c1[nH]c(SCc2cccc(OC(F)F)c2)ncc1OC1CCCCO1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 9/20 0.59
▸ DHFR P00374 1/20 0.41
▸ KDM6B O15054 1/20 0.39
▸ KDM4A O75164 1/20 0.39
▸ KDM4D Q6B0I6 1/20 0.39
▸ HIF1AN Q9NWT6 1/20 0.39
▸ KDM5B Q9UGL1 1/20 0.39
▸ KDM2A Q9Y2K7 1/20 0.39
▸ ACMSD Q8TDX5 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ SPR P35270 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ EPHX1 P07099 1/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ PLA2G7 Q13093 1/20 0.35

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
SCHEMBL14485879 0.90 DAO (0.58) DAODHFRKDM6BKDM4AKDM4D
SCHEMBL14486303 0.88 DAO (0.55) DAOKDM6BKDM4AKDM4DHIF1AN
SCHEMBL14486392 0.86 DAO (0.51) DAOKDM6BKDM4AKDM4DHIF1AN
SCHEMBL16001142 0.86 DAO (0.58) DAOKDM6BKDM4AKDM4DHIF1AN
SCHEMBL14486209 0.86 TP53 (0.52) DAOKDM6BKDM4AKDM4DHIF1AN
SCHEMBL14486402 0.86 DAO (0.55) DAOPLA2G7
SCHEMBL14486312 0.84 DAO (0.55) DAODHFRKDM6BKDM4AKDM4D
SCHEMBL14486202 0.83 DAO (0.40) DAOKDM6BKDM4AKDM4DHIF1AN
SCHEMBL14486084 0.82 DAO (0.53) DAOKDM6BKDM4AKDM4DHIF1AN
SCHEMBL14486459 0.81 PLA2G7 (0.47) DAOKDM6BKDM4AKDM4DHIF1AN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10085986-B2 Pyrimidinone compounds and their use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-02 — — US disclosed
EP-2729453-B1 PYRIMIDINONE COMPOUNDS AND THEIR USE TAKEDA PHARMACEUTICAL (JP) 2015-05-06 — — EP disclosed
EP-2729453-B1 PYRIMIDINONE COMPOUNDS AND THEIR USE TAKEDA PHARMACEUTICAL (JP) 2015-05-06 — — EP disclosed
US-20140248378-A1 PYRIMIDINONE COMPOUNDS AND THEIR USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-04 — — US disclosed
US-20140248378-A1 PYRIMIDINONE COMPOUNDS AND THEIR USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-04 — — US disclosed
US-20140248378-A1 PYRIMIDINONE COMPOUNDS AND THEIR USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-04 — — US disclosed
EP-2729453-A1 PYRIMIDINONE COMPOUNDS AND THEIR USE Takeda Pharmaceutical Company Limited (JP) 2014-05-14 — — EP disclosed
WO-2013004995-A1 PYRIMIDINONE COMPOUNDS AND THEIR USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-10 — — WO 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-20140248378-A1 PYRIMIDINONE COMPOUNDS AND THEIR USE TPMT, DHFR, DPYD DAO 934/4885DHFR 2/4885KDM6B 885/4885
US-10085986-B2 Pyrimidinone compounds and their use TPMT, DHFR, DPYD DAO 934/4885DHFR 2/4885KDM6B 885/4885

“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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