SCHEMBL3246963

SCHEMBL3246963

COCNC(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.68
ALDH1A1 P00352 2/20 0.68
GAA P10253 1/20 0.68
MAPK1 P28482 1/20 0.68
DRD2 P14416 1/20 0.64
DRD3 P35462 1/20 0.64
HTR2C P28335 1/20 0.63
HSD17B10 Q99714 1/20 0.60
AKR1C3 P42330 1/20 0.59
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58

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
SCHEMBL7087439 0.84 DRD2 (0.63) KDM4EALDH1A1GAAMAPK1DRD2
SCHEMBL9397179 0.83 DRD2 (0.74) KDM4EALDH1A1GAAMAPK1DRD2
SCHEMBL7094858 0.82 DRD2 (0.60) KDM4EALDH1A1GAAMAPK1DRD2
SCHEMBL3262786 0.82 HDAC3 (0.57) KDM4EALDH1A1DRD3HSD17B10NPC1
SCHEMBL3253089 0.82 PYGL (0.67)
SCHEMBL16627604 0.82 SMYD3 (0.51) KDM4EALDH1A1GAAMAPK1DRD2
SCHEMBL29580477 0.81 KDM4E (1.00) KDM4EALDH1A1GAAMAPK1DRD2
SCHEMBL474835 0.81 KDM4E (1.00) KDM4EALDH1A1GAAMAPK1DRD2
SCHEMBL13113077 0.81 DRD2 (0.66) KDM4EALDH1A1GAAMAPK1DRD2
SCHEMBL13753861 0.81 DRD2 (0.84) KDM4EALDH1A1GAAMAPK1DRD2

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 3 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 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

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 KDM4E 1957/4885ALDH1A1 891/4885GAA 222/4885

“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.