SCHEMBL27193287

SCHEMBL27193287

C#CC[N+](C)(C)c1ccc(NC(=O)c2ccc(-c3ccc(C(=O)Nc4ccc([N+](C)(C)C)c(F)c4)cc3)cc2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.43
▸ MCHR1 Q99705 4/20 0.42
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ BCL9 O00512 2/20 0.37
▸ CTNNB1 P35222 2/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ SNCA P37840 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ESRRG P62508 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ NAMPT P43490 1/20 0.36

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
SCHEMBL27193274 0.87 PTPN1 (0.55) PTPN1MCHR1NPC1RAB9AMEN1
SCHEMBL27193269 0.83 MCHR1 (0.47) PTPN1MCHR1BCL9CTNNB1HTR2C
SCHEMBL27193258 0.82 MCHR1 (0.46) MCHR1BCL9CTNNB1HTR2C
SCHEMBL27193288 0.78 ALDH1A1 (0.51) PTPN1MCHR1NPC1RAB9AKMT2A
SCHEMBL27193296 0.76 HTR1D (0.43) PTPN1MCHR1NPC1RAB9ABCL9
SCHEMBL27193249 0.73 RAB9A (0.54) PTPN1MCHR1NPC1RAB9AMEN1
SCHEMBL27193247 0.72 MAPT (0.51) PTPN1NPC1RAB9AMEN1KMT2A
SCHEMBL27193307 0.72 MAPT (0.55) PTPN1NPC1RAB9AMEN1KMT2A
SCHEMBL27193260 0.71 MAPT (0.55) PTPN1NPC1RAB9AMEN1KMT2A
SCHEMBL27193221 0.70 NPC1 (0.58) PTPN1MCHR1NPC1RAB9AHTR2C

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 PTPN1 937/4885MCHR1 3913/4885NPC1 2211/4885

“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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