SCHEMBL30828569

SCHEMBL30828569

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
POLB P06746 2/20 0.56
KDM4E B2RXH2 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MITF O75030 1/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 3/20 0.50
TYK2 P29597 2/20 0.50
MEN1 O00255 2/20 0.50
JAK2 O60674 1/20 0.50
JAK1 P23458 1/20 0.50
XBP1 P17861 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
GAA P10253 1/20 0.49
BRAF P15056 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.47
MPL P40238 1/20 0.47

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
SCHEMBL30828551 0.83 POLB (0.59) MAPTPOLBKDM4EL3MBTL1MITF
SCHEMBL27193237 0.82 MEN1 (0.45) MAPTKMT2AMEN1XBP1NPSR1
SCHEMBL30828592 0.81 ABL1 (0.54) MAPTPOLBKDM4EL3MBTL1MITF
SCHEMBL30828572 0.80 KMT2A (0.69) MAPTPOLBKDM4EL3MBTL1MITF
SCHEMBL30828583 0.80 MAPT (0.59) MAPTPOLBKDM4EL3MBTL1MITF
SCHEMBL23999623 0.79 KDM4E (0.85) MAPTPOLBKDM4EL3MBTL1MITF
SCHEMBL30828582 0.79 KDM4E (0.85) MAPTPOLBKDM4EL3MBTL1MITF
SCHEMBL30828552 0.79 KDM4E (0.85) MAPTPOLBKDM4EL3MBTL1MITF
SCHEMBL26436233 0.78 TAS2R14 (0.49) L3MBTL1KMT2ATYK2MEN1JAK2
SCHEMBL30828586 0.78 KDM4E (0.77) 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.