SCHEMBL30828564

SCHEMBL30828564

CN(C)c1ccc(NC(=O)c2ccc(-c3ccc(C(=O)Nc4ccc(N(C)C)c(C(F)(F)F)c4)cc3)cc2)cc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.55
▸ NPSR1 Q6W5P4 2/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ XBP1 P17861 1/20 0.54
▸ LMNA P02545 2/20 0.51
▸ PTPN1 P18031 1/20 0.48
▸ HDAC4 P56524 1/20 0.47
▸ TRPV1 Q8NER1 6/20 0.47
▸ TRPV4 Q9HBA0 1/20 0.46
▸ ACP1 P24666 1/20 0.45
▸ MCHR1 Q99705 1/20 0.45
▸ P2RY14 Q15391 1/20 0.44
▸ GAA P10253 1/20 0.44

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
SCHEMBL30828574 0.82 PTPN1 (0.55) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL30828585 0.80 RAB9A (0.54) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL30828604 0.79 MAPT (0.55) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL30828598 0.79 MAPT (0.51) MAPTNPSR1MEN1KMT2ANPC1
SCHEMBL27193260 0.78 MAPT (0.55) MAPTNPSR1MEN1KMT2ANPC1
SCHEMBL30828549 0.77 ALDH1A1 (0.58) MAPTNPC1RAB9ALMNATRPV1
SCHEMBL17386638 0.76 KIF11 (0.47) MAPTNPSR1MEN1KMT2ANPC1
SCHEMBL15445156 0.75 PTGS1 (0.56) MAPTNPSR1MEN1KMT2ANPC1
SCHEMBL26416635 0.74 MAPT (0.62) MAPTNPSR1MEN1KMT2ANPC1
SCHEMBL25800414 0.74 MAPT (0.59) MAPTNPSR1MEN1KMT2ANPC1

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 3344/4885NPSR1 4314/4885MEN1 3207/4885

“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.

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