SCHEMBL3250264

SCHEMBL3250264

COc1ccc2[nH]cc(Cc3cc4c(Cc5cnc(N)nc5N)cc(OC)c(OC)c4o3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.47
GPR84 Q9NQS5 2/20 0.47
DHFR P00374 3/20 0.45
MEN1 O00255 1/20 0.45
SLC22A1 O15245 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
CYP2C19 P33261 1/20 0.45
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MTNR1B P49286 5/20 0.43
CSF1R P07333 2/20 0.41
NTRK2 Q16620 2/20 0.41
NTRK1 P04629 1/20 0.41
NTRK3 Q16288 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
SCHEMBL3246827 0.90 DHFR (0.46) DHFRMEN1SLC22A1ALDH1A1CYP3A4
SCHEMBL3247150 0.87 TUBB4A (0.42) DHFRMEN1SLC22A1ALDH1A1CYP3A4
SCHEMBL3246894 0.86 DHFR (0.44) GPR84DHFRMEN1SLC22A1ALDH1A1
SCHEMBL5657904 0.84 DHFR (0.54) DHFRMEN1SLC22A1ALDH1A1CYP3A4
SCHEMBL3254525 0.84 DHFR (0.45) DHFRMEN1SLC22A1ALDH1A1CYP3A4
SCHEMBL3255329 0.81 SMN1; SMN2 (0.40) DHFRMEN1SLC22A1ALDH1A1CYP3A4
SCHEMBL3248694 0.81 SMN1; SMN2 (0.38) DHFRMEN1SLC22A1ALDH1A1CYP3A4
SCHEMBL5657350 0.80 DHFR (0.50) DHFRMEN1SLC22A1ALDH1A1CYP3A4
SCHEMBL5658141 0.80 DHFR (0.55) DHFRMEN1SLC22A1ALDH1A1CYP3A4
SCHEMBL5658323 0.80 DHFR (0.55) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651639-B1 BENZOFURAN DERIVATIVES AND THEIR USE IN THE TREATMENT OF MICROBIAL INFECTIONS ARPIDA AG (CH) 2010-05-26 EP claimed
US-7524854-B2 Benzofuran derivatives and their use in the treatment of microbial infections ARPIDA AG (CH) 2009-04-28 US claimed
US-20060154943-A1 Benzofuran derivatives and their use in the treatment of microbial infections ARPIDA AG (CH) 2006-07-13 US claimed
EP-1651639-A1 BENZOFURAN DERIVATIVES AND THEIR USE IN THE TREATMENT OF MICROBIAL INFECTIONS Arpida AG, (CH) 2006-05-03 EP claimed
WO-2005005418-A1 BENZOFURAN DERIVATIVES AND THEIR USE IN THE TREATMENT OF MICROBIAL INFECTIONS ARPIDA AG (CH) 2005-01-20 WO claimed
EP-1651639-B1 BENZOFURAN DERIVATIVES AND THEIR USE IN THE TREATMENT OF MICROBIAL INFECTIONS ARPIDA AG (CH) 2010-05-26 EP disclosed
US-7524854-B2 Benzofuran derivatives and their use in the treatment of microbial infections ARPIDA AG (CH) 2009-04-28 US disclosed
US-20060154943-A1 Benzofuran derivatives and their use in the treatment of microbial infections ARPIDA AG (CH) 2006-07-13 US disclosed
EP-1651639-A1 BENZOFURAN DERIVATIVES AND THEIR USE IN THE TREATMENT OF MICROBIAL INFECTIONS Arpida AG, (CH) 2006-05-03 EP disclosed
WO-2005005418-A1 BENZOFURAN DERIVATIVES AND THEIR USE IN THE TREATMENT OF MICROBIAL INFECTIONS ARPIDA AG (CH) 2005-01-20 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-20060154943-A1 Benzofuran derivatives and their use in the treatment of microbial infections DCXR, NLRP3, NISCH MTNR1A 3908/4885GPR84 3707/4885DHFR 163/4885

“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.