SCHEMBL21626679

SCHEMBL21626679

COc1ccc(N/N=C/c2ccc(-c3cccc(/C=N/Nc4ccc(OC)cc4)c3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.47
RAB9A P51151 8/20 0.46
NPC1 O15118 7/20 0.46
MAPT P10636 7/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
KDM4E B2RXH2 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NFKB1 P19838 3/20 0.46
NFKB2 Q00653 3/20 0.46
RELA Q04206 3/20 0.46
MPO P05164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 3/20 0.46
RAD52 P43351 1/20 0.46
ABL1 P00519 1/20 0.45
ABCB1 P08183 1/20 0.45
BCR P11274 1/20 0.45
HSP90AA1 P07900 1/20 0.45
NOX1 Q9Y5S8 1/20 0.45

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
SCHEMBL21626767 0.89 CYP1A2 (0.53) GAARAB9ANPC1MAPTMEN1
SCHEMBL21626750 0.88 RAB9A (0.51) GAARAB9ANPC1MAPTMEN1
SCHEMBL16566653 0.84 CYP1A2 (0.57) GAARAB9ANPC1MAPTMEN1
SCHEMBL19764161 0.83 NOX1 (0.68) GAARAB9ANPC1MAPTMEN1
SCHEMBL30389995 0.82 NOX1 (0.67) GAARAB9ANPC1MAPTMEN1
SCHEMBL21626686 0.82 RAB9A (0.62) GAARAB9ANPC1MAPTMEN1
SCHEMBL20625514 0.82 MAPT (0.62) GAARAB9ANPC1MAPTMEN1
SCHEMBL20625511 0.82 KCNH2 (0.58) GAARAB9ANPC1MAPTMEN1
SCHEMBL21626751 0.80 RAB9A (0.56) GAARAB9ANPC1MAPTMEN1
SCHEMBL13875562 0.79 GAA (0.69) GAARAB9ANPC1MAPTMEN1

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-20200024224-A1 ANTIFUNGAL COMPOUNDS AND METHODS OF FORMING THE SAME UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2020-01-23 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-20200024224-A1 ANTIFUNGAL COMPOUNDS AND METHODS OF FORMING THE SAME DPM1, ERG28, SUCLG1 GAA 202/4885RAB9A 3696/4885NPC1 544/4885

“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.