SCHEMBL3247150

SCHEMBL3247150

COc1cc(Cc2cnc(N)nc2N)c2cc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)oc2c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42
TUBB2B Q9BVA1 1/20 0.42
TUBB1 Q9H4B7 1/20 0.42
CLK1 P49759 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
DHFR P00374 2/20 0.41
MEN1 O00255 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
SCHEMBL3250264 0.87 MTNR1A (0.47) DHFRMEN1SLC22A1ALDH1A1CYP3A4
SCHEMBL3246827 0.86 DHFR (0.46) DHFRMEN1SLC22A1ALDH1A1CYP3A4
SCHEMBL5657449 0.86 DHFR (0.48) DHFRMEN1SLC22A1ALDH1A1CYP3A4
SCHEMBL6004526 0.83 TUBB4A (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3246894 0.82 DHFR (0.44) DHFRMEN1SLC22A1ALDH1A1CYP3A4
SCHEMBL3254525 0.80 DHFR (0.45) DHFRMEN1SLC22A1ALDH1A1CYP3A4
SCHEMBL5657651 0.76 DHFR (0.55) DHFRMEN1SLC22A1ALDH1A1CYP3A4
SCHEMBL5658323 0.76 DHFR (0.55) DHFRMEN1SLC22A1ALDH1A1CYP3A4
SCHEMBL5658141 0.76 DHFR (0.55) DHFRMEN1SLC22A1ALDH1A1CYP3A4
SCHEMBL3246736 0.75 DHFR (0.56) 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 8 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-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 TUBB4A 1249/4885TUBB 793/4885TUBA3C 1139/4885

“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.