SCHEMBL14486178

SCHEMBL14486178

O=c1[nH]c(SCc2cccc3ccccc23)ncc1OC1CCCCO1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ POLB P06746 2/20 0.41
▸ MCL1 Q07820 1/20 0.40
▸ DAO P14920 2/20 0.40
▸ HPGD P15428 5/20 0.38
▸ LMNA P02545 2/20 0.38
▸ KDM4C Q9H3R0 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CXCR2 P25025 3/20 0.37
▸ DHFR P00374 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL14488280 0.87 ALDH1A1 (0.41) ALDH1A1TP53RAB9APOLBDAO
SCHEMBL14485964 0.87 HPGD (0.50) ALDH1A1MEN1KMT2APOLBDAO
SCHEMBL14486392 0.85 DAO (0.51) ALDH1A1TP53RAB9ADAOLMNA
SCHEMBL16001144 0.85 HPGD (0.38) ALDH1A1TP53RAB9AMEN1KMT2A
SCHEMBL14486069 0.84 DAO (0.37) ALDH1A1TP53RAB9AMEN1KMT2A
SCHEMBL14485911 0.84 DAO (0.61) ALDH1A1TP53RAB9AMEN1KMT2A
SCHEMBL14486312 0.83 DAO (0.55) ALDH1A1TP53RAB9ADAOHPGD
SCHEMBL14486064 0.82 LMNA (0.42) ALDH1A1TP53RAB9ADAOLMNA
SCHEMBL14486459 0.81 PLA2G7 (0.47) ALDH1A1TP53RAB9ADAOHPGD
SCHEMBL14486330 0.80 KDM6B (0.49) ALDH1A1TP53RAB9ADAOLMNA

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 ALDH1A1 162/4885TP53 2578/4885RAB9A 1657/4885
US-10085986-B2 Pyrimidinone compounds and their use TPMT, DHFR, DPYD ALDH1A1 162/4885TP53 2578/4885RAB9A 1657/4885

“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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