SCHEMBL14486303

SCHEMBL14486303

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 6/20 0.55
▸ HPGD P15428 2/20 0.49
▸ MAOB P27338 1/20 0.45
▸ CTSB P07858 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ GRM5 P41594 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ 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
▸ RAB9A P51151 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL14486392 0.89 DAO (0.51) DAOMAOBCTSBL3MBTL1KDM6B
SCHEMBL16001142 0.89 DAO (0.58) DAOPOLBKDM6BKDM4AKDM4D
SCHEMBL14486209 0.89 TP53 (0.52) DAOHPGDKDM4EKDM6BKDM4A
SCHEMBL14486402 0.89 DAO (0.55) DAOMAOBCTSBTSHRPOLB
SCHEMBL14486202 0.88 DAO (0.40) DAOHPGDKDM6BKDM4AKDM4D
SCHEMBL14486090 0.88 DAO (0.59) DAOHPGDKDM6BKDM4AKDM4D
SCHEMBL14485879 0.87 DAO (0.58) DAOCTSBKDM4EL3MBTL1KDM6B
SCHEMBL14485757 0.86 DAO (0.56) DAOHPGDTSHRGRM5POLB
SCHEMBL14486312 0.85 DAO (0.55) DAOHPGDKDM6BKDM4AKDM4D
SCHEMBL14486084 0.85 DAO (0.53) DAOHPGDGFERL3MBTL1KDM6B

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 934/4885HPGD 862/4885MAOB 465/4885
US-10085986-B2 Pyrimidinone compounds and their use TPMT, DHFR, DPYD DAO 934/4885HPGD 862/4885MAOB 465/4885

“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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