SCHEMBL4033205

SCHEMBL4033205

COC(=O)c1nc(-c2cccc(OCc3ccc(OC)cc3)c2)nc(O)c1OC(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 2/20 0.48
PTPN1 P18031 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
HPGD P15428 4/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
THRB P10828 2/20 0.46
HTT P42858 2/20 0.46
NR1H2 P55055 1/20 0.44
PPARA Q07869 3/20 0.43
VDR P11473 2/20 0.43
ESR1 P03372 1/20 0.43
THRA P10827 1/20 0.43
RXRA P19793 1/20 0.43
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
ESR2 Q92731 1/20 0.43
LMNA P02545 2/20 0.43
RAB9A P51151 2/20 0.42

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
SCHEMBL4028967 0.82 SMPD1 (0.46) SMPD1PTPN1SMN1; SMN2HPGDKDM4E
SCHEMBL2254423 0.73 SMPD1 (0.76) SMPD1SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL5035033 0.72 DHPS (0.53) MAPTRXRAMRGPRX4
SCHEMBL847234 0.71 SMPD1 (0.53) SMPD1SMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL15862986 0.71 LMNA (0.55) HPGDALDH1A1RXRALMNA
SCHEMBL1171850 0.71 MRGPRX4 (0.65) SMPD1PTPN1HPGDLMNAMRGPRX4
SCHEMBL7836019 0.71 TLR7 (0.53) SMPD1HPGDKDM4EALDH1A1MAPT
SCHEMBL3678773 0.70 MRGPRX4 (0.64) SMPD1SMN1; SMN2HPGDMAPTNR1H2
SCHEMBL1122722 0.70 MAOB (0.68) SMPD1PTPN1SMN1; SMN2HPGDLMNA
SCHEMBL1186257 0.69 SMN1; SMN2 (0.76) SMPD1SMN1; SMN2PPARARXRARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470113-B1 PYRIMIDINONE VIRAL POLYMERASE INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2009-01-07 EP disclosed
US-20050130997-A1 Pyrimidinone viral polymerase inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2005-06-16 US disclosed
EP-1470113-A1 PYRIMIDINONE VIRAL POLYMERASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2004-10-27 EP disclosed
WO-2003062211-A1 PYRIMIDINONE VIRAL POLYMERASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2003-07-31 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 (1 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-20050130997-A1 Pyrimidinone viral polymerase inhibitors POLR2A, POLR1E, POLR2E SMPD1 2204/4885PTPN1 2030/4885SMN1; SMN2 3563/4885

“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.