SCHEMBL30828574

SCHEMBL30828574

CN(C)c1ccc(NC(=O)c2ccc(-c3ccc(C(=O)Nc4ccc(N(C)C)c(F)c4)cc3)cc2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 5/20 0.55
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ MCHR1 Q99705 2/20 0.48
▸ CYP19A1 P11511 1/20 0.47
▸ KCNK3 O14649 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SNCA P37840 1/20 0.46
▸ DEGS1 O15121 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ PTPN2 P17706 1/20 0.44
▸ PTPN11 Q06124 1/20 0.44
▸ TRPV1 Q8NER1 1/20 0.44

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
SCHEMBL30828576 0.90 MCHR1 (0.52) PTPN1NPC1RAB9AMCHR1CYP19A1
SCHEMBL30828560 0.87 MAPK14 (0.45) PTPN1NPC1RAB9AMCHR1KCNK3
SCHEMBL30828580 0.87 PTPN1 (0.43) PTPN1NPC1RAB9AMCHR1CYP19A1
SCHEMBL30828585 0.84 RAB9A (0.54) PTPN1NPC1RAB9AMCHR1CYP19A1
SCHEMBL30828571 0.82 MCHR1 (0.50) MCHR1CYP19A1
SCHEMBL30828598 0.82 MAPT (0.51) PTPN1NPC1RAB9ACYP19A1KCNK3
SCHEMBL30828604 0.82 MAPT (0.55) PTPN1NPC1RAB9AMCHR1CYP19A1
SCHEMBL30828564 0.82 MAPT (0.55) PTPN1NPC1RAB9AMCHR1MEN1
SCHEMBL30828549 0.80 ALDH1A1 (0.58) NPC1RAB9AMCHR1CYP19A1MAPT
SCHEMBL27193274 0.77 PTPN1 (0.55) PTPN1NPC1RAB9AMCHR1KCNK3

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 937/4885NPC1 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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