SCHEMBL27193247

SCHEMBL27193247

C[N+](C)(C)c1ccc(NC(=O)c2ccc(-c3ccc(C(=O)Nc4ccc([N+](C)(C)C)c(Br)c4)cc3)cc2)cc1Br

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.51
▸ PTPN1 P18031 5/20 0.47
▸ RAB9A P51151 4/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ PARP1 P09874 1/20 0.46
▸ XBP1 P17861 1/20 0.45
▸ DEGS1 O15121 1/20 0.44
▸ TRPV1 Q8NER1 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 1/20 0.43

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) MAPTPTPN1RAB9ANPC1MEN1
SCHEMBL27193274 0.82 PTPN1 (0.55) MAPTPTPN1RAB9ANPC1MEN1
SCHEMBL27193307 0.82 MAPT (0.55) MAPTPTPN1RAB9ANPC1MEN1
SCHEMBL27193221 0.80 NPC1 (0.58) PTPN1RAB9ANPC1TRPV1SMN1; SMN2
SCHEMBL27193260 0.79 MAPT (0.55) MAPTPTPN1RAB9ANPC1MEN1
SCHEMBL30828598 0.77 MAPT (0.51) MAPTPTPN1RAB9ANPC1MEN1
SCHEMBL26815735 0.75 NPC1 (0.59) MAPTPTPN1RAB9ANPC1MEN1
SCHEMBL27193298 0.74 PTPN1 (0.61) MAPTPTPN1RAB9ANPC1MEN1
SCHEMBL27193288 0.74 ALDH1A1 (0.51) MAPTPTPN1RAB9ANPC1KMT2A
SCHEMBL24628764 0.72 DEGS1 (0.57) MAPTPTPN1RAB9ANPC1MEN1

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 3344/4885PTPN1 937/4885RAB9A 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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