SCHEMBL5657758

SCHEMBL5657758

COc1cc(Cc2cnc(N)nc2N)c2cc(Cn3ccnc3)oc2c1OC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHFR P00374 5/20 0.47
MEN1 O00255 1/20 0.47
SLC22A1 O15245 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
CYP2C19 P33261 1/20 0.47
BLM P54132 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
P2RX3 P56373 2/20 0.43
P2RX2 Q9UBL9 2/20 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
SCHEMBL5660029 0.89 DHFR (0.51) DHFRMEN1SLC22A1ALDH1A1CYP3A4
SCHEMBL3255604 0.82 DHFR (0.56) DHFRMEN1SLC22A1ALDH1A1CYP3A4
SCHEMBL3246736 0.82 DHFR (0.56) DHFRMEN1SLC22A1ALDH1A1CYP3A4
SCHEMBL5661719 0.81 DHFR (0.54) DHFRMEN1SLC22A1ALDH1A1CYP3A4
SCHEMBL5657873 0.81 DHFR (0.48) DHFRMEN1SLC22A1ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL3811838 0.81 DHFR (0.55) DHFRMEN1SLC22A1ALDH1A1CYP3A4
SCHEMBL5659671 0.80 DHFR (0.54) DHFRMEN1SLC22A1ALDH1A1CYP3A4
SCHEMBL5659126 0.80 DHFR (0.54) DHFRMEN1SLC22A1ALDH1A1CYP3A4
SCHEMBL5659341 0.80 DHFR (0.48) DHFRMEN1SLC22A1ALDH1A1CYP3A4
SCHEMBL5659121 0.80 DHFR (0.45) DHFRMEN1SLC22A1ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030130-B2 Benzofuran derivatives and their use as antibacterial agents ARPIDA AG (CH) 2006-04-18 US claimed
EP-1307445-B1 BENZOFURAN DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ARPIDA AG (CH) 2005-12-21 EP claimed
US-20040034047-A1 Benzofuran derivatives and their use as antibacterial agents EVOLVA SA (CH) 2004-02-19 US claimed
EP-1307445-A1 BENZOFURAN DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS Arpida AG, (CH) 2003-05-07 EP claimed
WO-2002010157-A1 BENZOFURAN DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ARPIDA AG (CH) 2002-02-07 WO claimed
WO-2002010156-A1 BENZOFURAN DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ARPIDA AG (CH) 2002-02-07 WO claimed
US-7030130-B2 Benzofuran derivatives and their use as antibacterial agents ARPIDA AG (CH) 2006-04-18 US disclosed
EP-1307445-B1 BENZOFURAN DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ARPIDA AG (CH) 2005-12-21 EP disclosed
US-20040034047-A1 Benzofuran derivatives and their use as antibacterial agents EVOLVA SA (CH) 2004-02-19 US disclosed
EP-1307445-A1 BENZOFURAN DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS Arpida AG, (CH) 2003-05-07 EP disclosed
WO-2002010157-A1 BENZOFURAN DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ARPIDA AG (CH) 2002-02-07 WO disclosed
WO-2002010156-A1 BENZOFURAN DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ARPIDA AG (CH) 2002-02-07 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-20040034047-A1 Benzofuran derivatives and their use as antibacterial agents SBDS, BPTF, DCXR DHFR 194/4885MEN1 4413/4885SLC22A1 3870/4885

“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.