SCHEMBL30828560

SCHEMBL30828560

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 7/20 0.45
▸ HTR1D P28221 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MCHR1 Q99705 1/20 0.43
▸ TRPV1 Q8NER1 1/20 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
▸ KCNK3 O14649 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ RAF1 P04049 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ BRAF P15056 1/20 0.42

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
SCHEMBL30828574 0.87 PTPN1 (0.55) NPC1RAB9AMCHR1TRPV1PTPN1
SCHEMBL30828558 0.81 KCNK3 (0.55) NPC1RAB9AKCNK3KDM4EALDH1A1
SCHEMBL27193296 0.81 HTR1D (0.43) MAPK14HTR1DNPC1RAB9AMCHR1
SCHEMBL30828576 0.79 MCHR1 (0.52) MAPK14NPC1RAB9AMCHR1PTPN1
SCHEMBL30828585 0.78 RAB9A (0.54) MAPK14NPC1RAB9AMCHR1PTPN1
SCHEMBL30828580 0.76 PTPN1 (0.43) HTR1DNPC1RAB9AMCHR1PTPN1
SCHEMBL18165106 0.75 KCNQ3 (0.55) MAPK14NPC1RAB9APTPN1TP53
SCHEMBL27193306 0.74 NPC1 (0.47) MAPK14HTR1DNPC1RAB9ATRPV1
SCHEMBL17465718 0.72 NPC1 (0.64) NPC1RAB9A
SCHEMBL30828598 0.71 MAPT (0.51) NPC1RAB9ATRPV1PTPN1KCNK3

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 MAPK14 2163/4885HTR1D 4697/4885NPC1 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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