SCHEMBL1522590

SCHEMBL1522590

Cc1csc2c1c(=O)oc(=O)n2Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.60
FEN1 P39748 1/20 0.60
PDE1B Q01064 3/20 0.55
ADORA2B P29275 11/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C8 P10632 1/20 0.45
CYP2C9 P11712 1/20 0.45
MIF P14174 3/20 0.45
CD74 P04233 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL18342005 0.85 PDE1B (0.58) ERCC5FEN1PDE1BMIFCD74
SCHEMBL1523605 0.78 MIF (0.45) ERCC5FEN1PDE1BCYP1A2CYP2C9
SCHEMBL1522913 0.76 ERCC5 (0.41) ERCC5FEN1PDE1BADORA2BCYP1A2
SCHEMBL1522332 0.75 MIF (0.57) MIFCD74ALDH1A1
SCHEMBL1883466 0.75 ERCC5 (1.00) ERCC5FEN1PDE1BADORA2BCYP1A2
SCHEMBL1523762 0.73 ERCC5 (0.57) ERCC5FEN1PDE1BADORA2BCYP1A2
SCHEMBL1523149 0.72 MIF (0.53) MIFCD74ALDH1A1
SCHEMBL5107600 0.72 ERCC5 (0.58) ERCC5FEN1PDE1BADORA2BPTGDR2
SCHEMBL27724198 0.72 ERCC5 (0.61) ERCC5FEN1PDE1BADORA2BPTGDR2
SCHEMBL20320843 0.71 ERCC5 (0.39) ERCC5FEN1ADORA2BCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2361913-A1 Anti-infective agents Abbott Laboratories (US) 2011-08-31 EP disclosed
US-7902203-B2 Anti-infective agents ABBOTT LABORATORIES, INC. (US) 2011-03-08 US disclosed
EP-1560827-B1 ANTI-INFECTIVE AGENTS ABBOTT LAB (US) 2010-12-29 EP disclosed
US-7365200-B2 Thienopyridinone derivatives as macrophage migration inhibitory factor inhibitors AVANIR PHARMACEUTICALS (US) 2008-04-29 US disclosed
US-7365200-B2 Thienopyridinone derivatives as macrophage migration inhibitory factor inhibitors AVANIR PHARMACEUTICALS (US) 2008-04-29 US disclosed
US-7365200-B2 Thienopyridinone derivatives as macrophage migration inhibitory factor inhibitors AVANIR PHARMACEUTICALS (US) 2008-04-29 US disclosed
US-20070179149-A1 THIENOPYRIDINONE DERIVATIVES AS MACROPHAGE MIGRATION INHIBITORY FACTOR INHIBITORS AVANIR PHARMACEUTICALS (US) 2007-08-02 US disclosed
US-20070179149-A1 THIENOPYRIDINONE DERIVATIVES AS MACROPHAGE MIGRATION INHIBITORY FACTOR INHIBITORS AVANIR PHARMACEUTICALS (US) 2007-08-02 US disclosed
US-20070179149-A1 THIENOPYRIDINONE DERIVATIVES AS MACROPHAGE MIGRATION INHIBITORY FACTOR INHIBITORS AVANIR PHARMACEUTICALS (US) 2007-08-02 US disclosed
US-20060229314-A1 Thienopyridinone derivatives as macrophage migration inhibitory factor inhibitors AVANIR PHARMACEUTICALS 2006-10-12 US disclosed
US-20050075331-A1 Anti-infective agents ABBOTT LABORATORIES 2005-04-07 US disclosed
US-20040167123-A1 Anti-infective agents ABBVIE INC. 2004-08-26 US disclosed
US-20040162285-A1 Anti-infective agents ABBOTT LABORATORIES 2004-08-19 US disclosed
US-20040097492-A1 Anti-infective agents ABBOTT LABORATORIES 2004-05-20 US disclosed
US-20040087577-A1 Anti-infective agents ABBOTT LABORATORIES 2004-05-06 US 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 (7 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-20040097492-A1 Anti-infective agents POLR1C, RPL5, POLB ERCC5 2973/4885FEN1 1213/4885PDE1B 4779/4885
US-20070179149-A1 THIENOPYRIDINONE DERIVATIVES AS MACROPHAGE MIGRATION INHIBITORY FACTOR INHIBITORS MIF, MMP12, MSR1 ERCC5 4724/4885FEN1 2495/4885PDE1B 858/4885
US-20060229314-A1 Thienopyridinone derivatives as macrophage migration inhibitory factor inhibitors MIF, MMP12, MSR1 ERCC5 4724/4885FEN1 2495/4885PDE1B 858/4885
US-20040162285-A1 Anti-infective agents POLR1C, RPL5, POLB ERCC5 2973/4885FEN1 1213/4885PDE1B 4779/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 ERCC5 3536/4885FEN1 727/4885PDE1B 4688/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT ERCC5 3596/4885FEN1 1845/4885PDE1B 4718/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB ERCC5 2973/4885FEN1 1213/4885PDE1B 4779/4885

“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.