SCHEMBL4026580

SCHEMBL4026580

COc1ccc(COc2cccc(-c3nc(C(=O)O)c(O)c(=O)n3C)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.50
SMPD1 P17405 1/20 0.47
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.46
KMT2A Q03164 2/20 0.46
XBP1 P17861 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ERCC1 P07992 1/20 0.44
FEN1 P39748 1/20 0.44
ERCC4 Q92889 1/20 0.44
FFAR1 O14842 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 3/20 0.43
PPARD Q03181 3/20 0.43
NPC1 O15118 2/20 0.43
VDR P11473 2/20 0.43
POLB P06746 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
SCHEMBL4026584 0.87 COMT (0.48) COMTSMPD1ALDH1A1HPGDKMT2A
SCHEMBL4028967 0.80 SMPD1 (0.46) COMTSMPD1ALDH1A1HPGDKMT2A
SCHEMBL4030768 0.78 ERCC1 (0.57) COMTALDH1A1KMT2AERCC1FEN1
SCHEMBL6018272 0.74 KCNE1 (0.51) ALDH1A1HPGDKMT2ASMN1; SMN2KDM4E
SCHEMBL6017668 0.74 MEN1 (0.47) COMTALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL6018050 0.73 CLK4 (0.46) ALDH1A1HPGDKMT2AKDM4EMEN1
SCHEMBL2434235 0.72 COMT (0.57) COMTALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL1186257 0.70 SMN1; SMN2 (0.76) SMPD1SMN1; SMN2RAB9ANPC1POLB
SCHEMBL6018601 0.69 TP53 (0.51) ALDH1A1KMT2ASMN1; SMN2KDM4EMEN1
SCHEMBL6888262 0.69 COMT (0.51) COMTALDH1A1HPGDKMT2AXBP1

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 3 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 claimed
US-20050130997-A1 Pyrimidinone viral polymerase inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2005-06-16 US claimed
EP-1470113-B1 PYRIMIDINONE VIRAL POLYMERASE INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2009-01-07 EP 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 COMT 1690/4885SMPD1 2204/4885ALDH1A1 255/4885

“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.