SCHEMBL10144731

SCHEMBL10144731

S=c1[nH]c(Cc2ccccc2)nc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.66
GAA P10253 3/20 0.62
PKM P14618 3/20 0.49
TSHR P16473 1/20 0.49
MAPT P10636 3/20 0.48
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2B Q13224 1/20 0.48
ERBB2 P04626 2/20 0.47
EGFR P00533 1/20 0.47
PRNP P04156 1/20 0.47
MEN1 O00255 1/20 0.45
ELANE P08246 1/20 0.45
ACVR1 Q04771 1/20 0.44
KRAS P01116 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
RIPK1 Q13546 1/20 0.43
OPRM1 P35372 1/20 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
SCHEMBL9178009 0.79 KMT2A (1.00) KMT2AGAAPKMMAPTKDM4E
SCHEMBL860658 0.77 ALDH1A1 (0.42) KMT2AGAAMAPTKDM4EMEN1
Bendazol SCHEMBL29539948 0.77 GAA (1.00) KMT2AGAAPKMTSHRMAPT
Bendazol SCHEMBL309393 0.77 GAA (1.00) KMT2AGAAPKMTSHRMAPT
Bendazol SCHEMBL15015931 0.75 GAA (0.96) KMT2AGAAPKMTSHRMAPT
Bendazol SCHEMBL27823120 0.75 GAA (0.96) KMT2AGAAPKMTSHRMAPT
SCHEMBL12351964 0.74 PARP1 (0.61) KMT2AGAAMAPTKDM4EMEN1
SCHEMBL27764908 0.72 KDM4E (0.44) KMT2AGAAPKMTSHRMAPT
SCHEMBL28217562 0.71 GAA (0.60) KMT2AGAAPKMTSHRMAPT
SCHEMBL6542837 0.71 GAA (0.60) KMT2AGAAPKMTSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120100609-A1 N-LINKED GLYCAN BIOSYNTHESIS MODULATORS BIOMARIN PHARMACEUTICAL INC. 2012-04-26 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-20120100609-A1 N-LINKED GLYCAN BIOSYNTHESIS MODULATORS ENGASE, GALNT1, GALNT13 KMT2A 1652/4885GAA 98/4885PKM 3849/4885

“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.