SCHEMBL3258152

SCHEMBL3258152

COc1cc(Cc2cnc(N)nc2N)c2cc(Cc3c(C(=O)N(C)C)[nH]c4ccccc34)oc2c1OC

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
DHFR P00374 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 2/20 0.40
MEN1 O00255 1/20 0.40
SLC22A1 O15245 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
CYP2C19 P33261 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL3254454 0.95 SMN1; SMN2 (0.39) SMN1; SMN2DHFRALDH1A1CYP3A4MEN1
SCHEMBL3257418 0.94 DHFR (0.39) SMN1; SMN2DHFRALDH1A1CYP3A4MEN1
SCHEMBL3255329 0.91 SMN1; SMN2 (0.40) SMN1; SMN2DHFRALDH1A1CYP3A4MEN1
SCHEMBL3254522 0.91 SMN1; SMN2 (0.39) SMN1; SMN2DHFRALDH1A1CYP3A4MEN1
SCHEMBL3258035 0.91 SMN1; SMN2 (0.39) SMN1; SMN2DHFRALDH1A1CYP3A4MEN1
SCHEMBL30932949 0.91 SMN1; SMN2 (0.39) SMN1; SMN2DHFRALDH1A1CYP3A4MEN1
SCHEMBL3254448 0.90 DHFR (0.39) SMN1; SMN2DHFRALDH1A1CYP3A4MEN1
SCHEMBL3258062 0.89 DHFR (0.40) SMN1; SMN2DHFRALDH1A1CYP3A4MEN1
SCHEMBL3253216 0.88 SMN1; SMN2 (0.38) SMN1; SMN2DHFRALDH1A1CYP3A4MEN1
SCHEMBL3252735 0.87 DHFR (0.45) DHFRALDH1A1CYP3A4MEN1SLC22A1

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 SMN1; SMN2 3544/4885DHFR 163/4885ALDH1A1 891/4885

“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.