SCHEMBL30828583

SCHEMBL30828583

O=C(Nc1ccc(Nc2ccncc2)cc1)c1ccc(C(=O)Nc2ccc(Nc3ccncc3)cc2)c(Br)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
POLB P06746 2/20 0.59
KDM4E B2RXH2 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MITF O75030 1/20 0.54
MAPK1 P28482 1/20 0.54
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
GAA P10253 2/20 0.53
RAB9A P51151 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HTT P42858 2/20 0.52
NPC1 O15118 1/20 0.52
ROCK2 O75116 1/20 0.52
ALOX12 P18054 1/20 0.52
ROCK1 Q13464 1/20 0.52
LMNA P02545 1/20 0.52
NT5E P21589 2/20 0.50
PKM P14618 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL4506877 0.86 KDM4E (0.60) MAPTPOLBKDM4EL3MBTL1KMT2A
SCHEMBL30828572 0.83 KMT2A (0.69) MAPTPOLBKDM4EL3MBTL1MITF
SCHEMBL30828551 0.83 POLB (0.59) MAPTPOLBKDM4EL3MBTL1MITF
SCHEMBL30828582 0.82 KDM4E (0.85) MAPTPOLBKDM4EL3MBTL1MITF
SCHEMBL30828552 0.82 KDM4E (0.85) MAPTPOLBKDM4EL3MBTL1MITF
SCHEMBL23999623 0.82 KDM4E (0.85) MAPTPOLBKDM4EL3MBTL1MITF
SCHEMBL27193226 0.81 RAB9A (0.49) MAPTKMT2AMEN1GAARAB9A
SCHEMBL30828586 0.81 KDM4E (0.77) MAPTPOLBKDM4EL3MBTL1MITF
SCHEMBL30828569 0.80 MAPT (0.56) MAPTPOLBKDM4EL3MBTL1MITF
SCHEMBL30828600 0.79 MAPT (0.67) MAPTPOLBKDM4EL3MBTL1MITF

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-20240116857-A1 QUATERNARY AMMONIUM COMPOUNDS AS ANTIMICROBIALS SAINT LOUIS UNIVERSITY (US) 2024-04-11 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-20240116857-A1 QUATERNARY AMMONIUM COMPOUNDS AS ANTIMICROBIALS ABCC1, ARG1, SLC11A2 MAPT 3344/4885POLB 1009/4885KDM4E 854/4885

“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.