SCHEMBL27193307

SCHEMBL27193307

C[N+](C)(C)c1ccc(NC(=O)c2ccc(-c3ccc(C(=O)Nc4ccc([N+](C)(C)C)c(Cl)c4)cc3)cc2)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.55
▸ NPC1 O15118 5/20 0.54
▸ RAB9A P51151 5/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ PKM P14618 1/20 0.54
▸ LMNA P02545 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ POLB P06746 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ PTPN1 P18031 5/20 0.47
▸ SLC2A1 P11166 1/20 0.45
▸ KCNQ3 O43525 1/20 0.45
▸ KCNQ2 O43526 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44
▸ DEGS1 O15121 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
SCHEMBL27193249 0.84 RAB9A (0.54) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL27193247 0.82 MAPT (0.51) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL27193274 0.82 PTPN1 (0.55) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL27193221 0.80 NPC1 (0.58) NPC1RAB9ASMN1; SMN2POLBPTPN1
SCHEMBL27193260 0.79 MAPT (0.55) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL30828604 0.77 MAPT (0.55) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL27193298 0.74 PTPN1 (0.61) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL27193288 0.74 ALDH1A1 (0.51) MAPTNPC1RAB9AKMT2AKDM4E
SCHEMBL4725605 0.72 NPC1 (0.83) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL16589430 0.72 NPC1 (0.75) MAPTNPC1RAB9AMEN1KMT2A

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 3344/4885NPC1 2211/4885RAB9A 1510/4885

“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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