SCHEMBL27193306

SCHEMBL27193306

Cc1cc(C(=O)Nc2ccc([N+](C)(C)C)cc2)ccc1-c1ccc(C(=O)Nc2ccc([N+](C)(C)C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ TRPV1 Q8NER1 2/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MAPK14 Q16539 2/20 0.46
▸ HTR1D P28221 2/20 0.44
▸ HSD17B1 P14061 1/20 0.44
▸ PTPN1 P18031 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ DGAT1 O75907 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TMPRSS2 O15393 1/20 0.43
▸ SLC6A4 P31645 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
SCHEMBL27193298 0.84 PTPN1 (0.61) NPC1RAB9ATRPV1KMT2APTPN1
SCHEMBL27193296 0.81 HTR1D (0.43) NPC1RAB9ATRPV1KMT2AMAPK14
SCHEMBL30828558 0.81 KCNK3 (0.55) NPC1RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL22580645 0.75 NPC1 (0.66) NPC1RAB9AKMT2APTPN1SMN1; SMN2
SCHEMBL22580585 0.75 NPC1 (0.66) NPC1RAB9AKMT2APTPN1SMN1; SMN2
SCHEMBL30828560 0.74 MAPK14 (0.45) NPC1RAB9ATRPV1MAPK14HTR1D
SCHEMBL25815389 0.72 NPC1 (0.72) NPC1RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL13400967 0.72 RAB9A (0.67) NPC1RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL27193249 0.71 RAB9A (0.54) NPC1RAB9ATRPV1KMT2APTPN1
SCHEMBL14285959 0.71 PTPN1 (0.69) NPC1RAB9AKMT2AMAPK14PTPN1

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 NPC1 2211/4885RAB9A 1510/4885TRPV1 2392/4885

“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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