SCHEMBL14486125

SCHEMBL14486125

O=c1[nH]c(COc2ccccc2)ncc1OC1CCCCO1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.50
▸ RAB9A P51151 3/20 0.42
▸ KDM4C Q9H3R0 1/20 0.39
▸ DHFR P00374 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HCAR2 Q8TDS4 1/20 0.37
▸ NOS1 P29475 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ PDE9A O76083 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL14485919 0.85 DAO (0.48) DAOKDM4CDHFR
SCHEMBL14485986 0.83 DAO (0.50) DAORAB9AKDM4CDHFRMEN1
SCHEMBL14486392 0.80 DAO (0.51) DAORAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL14486330 0.78 KDM6B (0.49) DAORAB9AALDH1A1TSHRTP53
SCHEMBL14358192 0.76 TUBB4A (0.38) RAB9AKDM4CALDH1A1NPC1SMN1; SMN2
SCHEMBL14358188 0.76 TUBB4A (0.38) RAB9AKDM4CALDH1A1NPC1SMN1; SMN2
SCHEMBL14486350 0.76 DHFR (0.39) DAORAB9AKDM4CDHFRMEN1
SCHEMBL9918615 0.75 PTPN1 (0.36) RAB9AKDM4CDHFRMEN1KMT2A
SCHEMBL3166464 0.75 PTPN1 (0.36) RAB9AKDM4CDHFRMEN1KMT2A
SCHEMBL14554707 0.75 DAO (0.52) DAORAB9AKDM4CALDH1A1TP53

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 9 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
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 934/4885RAB9A 1657/4885KDM4C 780/4885
US-10085986-B2 Pyrimidinone compounds and their use TPMT, DHFR, DPYD DAO 934/4885RAB9A 1657/4885KDM4C 780/4885

“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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