SCHEMBL30169074

SCHEMBL30169074

Nc1c(N)c(N)c2c(oc3ccccc32)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.47
ALDH1A1 P00352 7/20 0.47
GAA P10253 4/20 0.47
LIMK1 P53667 1/20 0.44
MAPT P10636 5/20 0.42
HPGD P15428 5/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 2/20 0.42
NQO1 P15559 1/20 0.42
RAB9A P51151 1/20 0.42
DDR2 Q16832 1/20 0.41
KDM5A P29375 1/20 0.41
THRB P10828 1/20 0.41
HSD17B10 Q99714 3/20 0.40
MAOA P21397 2/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
PGAM1 P18669 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
SCHEMBL23690159 0.77 AHR (0.50) KDM4EALDH1A1GAALIMK1MAPT
SCHEMBL10038492 0.77 KDM4E (0.50) KDM4EALDH1A1GAALIMK1MAPT
SCHEMBL2341671 0.76 CASP6 (0.43) KDM4EALDH1A1GAALIMK1MAPT
SCHEMBL2343971 0.76 CDC14B (0.43) KDM4EALDH1A1GAALIMK1MAPT
SCHEMBL3875085 0.75 NQO1 (0.47) KDM4EALDH1A1GAALIMK1MAPT
SCHEMBL19108526 0.75 MAOA (0.48) KDM4EALDH1A1GAALIMK1MAPT
SCHEMBL16984663 0.75 MAOA (0.48) KDM4EALDH1A1GAALIMK1MAPT
SCHEMBL3881093 0.74 NQO1 (0.43) KDM4EALDH1A1GAALIMK1MAPT
SCHEMBL31400073 0.74 DDR2 (0.45) KDM4EALDH1A1GAALIMK1MAPT
SCHEMBL3882623 0.74 NQO1 (0.43) KDM4EALDH1A1GAALIMK1MAPT

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-11597694-B2 Method for producing lactic acid and method for producing polylactic acid TORAY INDUSTRIES, INC. (JP) 2023-03-07 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-11597694-B2 Method for producing lactic acid and method for producing polylactic acid MLEC, FIBP, LDHA KDM4E 3852/4885ALDH1A1 1930/4885GAA 417/4885

“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.