SCHEMBL21626686

SCHEMBL21626686

Brc1ccc(N/N=C/c2ccc(-c3cccc(/C=N/Nc4ccc(Br)cc4)c3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.62
MEN1 O00255 11/20 0.62
KMT2A Q03164 11/20 0.62
MAPT P10636 9/20 0.62
GAA P10253 6/20 0.62
LMNA P02545 1/20 0.62
HPGD P15428 1/20 0.62
NPC1 O15118 10/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
KDM4E B2RXH2 4/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
ALDH1A1 P00352 2/20 0.49
NOX1 Q9Y5S8 2/20 0.49
POLB P06746 4/20 0.48
HSP90AA1 P07900 1/20 0.48
CASP3 P42574 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48

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
SCHEMBL21626681 0.87 RAB9A (0.73) RAB9AMEN1KMT2AMAPTGAA
SCHEMBL19764161 0.86 NOX1 (0.68) RAB9AMEN1KMT2AMAPTGAA
SCHEMBL20625514 0.85 MAPT (0.62) RAB9AMEN1KMT2AMAPTGAA
SCHEMBL20625511 0.85 KCNH2 (0.58) RAB9AMEN1KMT2AMAPTGAA
SCHEMBL8264920 0.82 MAPT (0.57) RAB9AMEN1KMT2AMAPTGAA
SCHEMBL21626679 0.82 GAA (0.47) RAB9AMEN1KMT2AMAPTGAA
SCHEMBL21626812 0.82 RAB9A (0.57) RAB9AMEN1KMT2AMAPTGAA
SCHEMBL11426658 0.81 MAPT (0.86) RAB9AMEN1KMT2AMAPTGAA
SCHEMBL11426660 0.81 MAPT (0.86) RAB9AMEN1KMT2AMAPTGAA
SCHEMBL19764157 0.80 MAPT (0.55) RAB9AMEN1KMT2AMAPTGAA

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 RAB9A 3696/4885MEN1 491/4885KMT2A 3351/4885

“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.