SCHEMBL4028967

SCHEMBL4028967

COC(=O)c1nc(-c2cccc(OCc3ccc(OC)cc3)c2)n(C)c(=O)c1OC(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 2/20 0.46
ALDH1A1 P00352 7/20 0.44
HPGD P15428 5/20 0.43
KMT2A Q03164 2/20 0.43
XBP1 P17861 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 4/20 0.43
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
THRB P10828 2/20 0.43
HTT P42858 2/20 0.43
PTPN1 P18031 1/20 0.43
VDR P11473 2/20 0.43
PPARA Q07869 2/20 0.43
PPARG P37231 2/20 0.43
ESR1 P03372 1/20 0.43
THRA P10827 1/20 0.43
RXRA P19793 1/20 0.43
PPARD Q03181 1/20 0.43
ESR2 Q92731 1/20 0.43

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
SCHEMBL4026191 0.83 ADORA2A (0.40) ALDH1A1KMT2AKDM4ESMN1; SMN2COMT
SCHEMBL4033205 0.82 SMPD1 (0.48) SMPD1ALDH1A1HPGDKMT2AKDM4E
SCHEMBL4026580 0.80 COMT (0.50) SMPD1ALDH1A1HPGDKMT2AXBP1
SCHEMBL6690246 0.78 ERCC1 (0.42) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL4026584 0.77 COMT (0.48) SMPD1ALDH1A1HPGDKMT2AXBP1
SCHEMBL13824026 0.76 ADORA2A (0.45) ALDH1A1HPGDKMT2AKDM4EMAPT
SCHEMBL13823925 0.74 NPC1 (0.42) ALDH1A1KMT2ANPSR1KDM4EMAPT
SCHEMBL2254423 0.70 SMPD1 (0.76) SMPD1ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL4026627 0.70 ERCC1 (0.56) ALDH1A1HPGDKMT2ANPSR1KDM4E
SCHEMBL13218115 0.69 SLC6A3 (0.40) ALDH1A1KMT2ANPSR1KDM4EMAPT

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 2204/4885ALDH1A1 255/4885HPGD 1570/4885

“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.