SCHEMBL14486392

SCHEMBL14486392

O=c1[nH]c(SCc2ccccc2)ncc1OC1CCCCO1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 4/20 0.51
▸ KDM6B O15054 1/20 0.49
▸ KDM4A O75164 1/20 0.49
▸ KDM4D Q6B0I6 1/20 0.49
▸ HIF1AN Q9NWT6 1/20 0.49
▸ KDM5B Q9UGL1 1/20 0.49
▸ KDM2A Q9Y2K7 1/20 0.49
▸ PLA2G7 Q13093 4/20 0.46
▸ LMNA P02545 1/20 0.44
▸ RAPGEF4 Q8WZA2 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CXCR2 P25025 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CTSB P07858 1/20 0.40

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
SCHEMBL14486330 0.92 KDM6B (0.49) DAOKDM6BKDM4AKDM4DHIF1AN
SCHEMBL14486084 0.91 DAO (0.53) DAOKDM6BKDM4AKDM4DHIF1AN
SCHEMBL14486459 0.91 PLA2G7 (0.47) DAOKDM6BKDM4AKDM4DHIF1AN
SCHEMBL16001134 0.90 MMP13 (0.49) DAOKDM6BKDM4AKDM4DHIF1AN
SCHEMBL14486395 0.90 DAO (0.53) DAOKDM6BKDM4AKDM4DHIF1AN
SCHEMBL14486312 0.89 DAO (0.55) DAOKDM6BKDM4AKDM4DHIF1AN
SCHEMBL14486402 0.89 DAO (0.55) DAOPLA2G7LMNAMAOBL3MBTL1
SCHEMBL14486303 0.89 DAO (0.55) DAOKDM6BKDM4AKDM4DHIF1AN
SCHEMBL14486209 0.89 TP53 (0.52) DAOKDM6BKDM4AKDM4DHIF1AN
SCHEMBL14486064 0.88 LMNA (0.42) 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 934/4885KDM6B 885/4885KDM4A 1072/4885
US-10085986-B2 Pyrimidinone compounds and their use TPMT, DHFR, DPYD DAO 934/4885KDM6B 885/4885KDM4A 1072/4885

“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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