SCHEMBL27193296

SCHEMBL27193296

Cc1cc(C(=O)Nc2ccc([N+](C)(C)C)c(F)c2)ccc1-c1ccc(C(=O)Nc2ccc([N+](C)(C)C)c(F)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ TRPV1 Q8NER1 2/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ DGAT1 O75907 1/20 0.42
▸ TMPRSS2 O15393 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ BCL9 O00512 2/20 0.41
▸ CTNNB1 P35222 2/20 0.41
▸ MAPK14 Q16539 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MCHR1 Q99705 1/20 0.41
▸ KCNQ3 O43525 1/20 0.40
▸ KCNQ2 O43526 1/20 0.40
▸ KCNE1 P15382 1/20 0.40
▸ KCNQ1 P51787 1/20 0.40

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) NPC1RAB9ATRPV1PTPN1MAPT
SCHEMBL27193306 0.81 NPC1 (0.47) HTR1DNPC1RAB9ATRPV1PTPN1
SCHEMBL30828560 0.81 MAPK14 (0.45) HTR1DNPC1RAB9ATRPV1PTPN1
SCHEMBL27193288 0.79 ALDH1A1 (0.51) NPC1RAB9ATRPV1PTPN1TP53
SCHEMBL27193249 0.78 RAB9A (0.54) NPC1RAB9ATRPV1PTPN1MAPT
SCHEMBL27193287 0.76 PTPN1 (0.43) NPC1RAB9APTPN1MAPTKMT2A
SCHEMBL30828558 0.74 KCNK3 (0.55) NPC1RAB9ATP53MAPTKMT2A
SCHEMBL18165106 0.73 KCNQ3 (0.55) NPC1RAB9APTPN1TP53MAPT
SCHEMBL17465718 0.72 NPC1 (0.64) NPC1RAB9AKCNQ3KCNQ2KCNE1
SCHEMBL27193247 0.71 MAPT (0.51) NPC1RAB9ATRPV1PTPN1TP53

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 HTR1D 4697/4885NPC1 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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