SCHEMBL30828580

SCHEMBL30828580

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.43
▸ MCHR1 Q99705 10/20 0.42
▸ CYP19A1 P11511 1/20 0.42
▸ RAB9A P51151 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ KDM1A O60341 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ HTR1D P28221 1/20 0.38
▸ HTR1B P28222 1/20 0.38
▸ KCNK3 O14649 1/20 0.38

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) PTPN1MCHR1CYP19A1RAB9ANPC1
SCHEMBL30828571 0.82 MCHR1 (0.50) MCHR1CYP19A1
SCHEMBL30828587 0.81 MCHR1 (0.48) MCHR1CYP19A1KDM1AMAOB
SCHEMBL30828576 0.78 MCHR1 (0.52) PTPN1MCHR1CYP19A1RAB9ANPC1
SCHEMBL30828560 0.76 MAPK14 (0.45) PTPN1MCHR1RAB9ANPC1HTR1D
SCHEMBL30828585 0.73 RAB9A (0.54) PTPN1MCHR1CYP19A1RAB9ANPC1
SCHEMBL30828604 0.72 MAPT (0.55) PTPN1MCHR1CYP19A1RAB9ANPC1
SCHEMBL30828598 0.72 MAPT (0.51) PTPN1CYP19A1RAB9ANPC1KCNK3
SCHEMBL30828564 0.71 MAPT (0.55) PTPN1MCHR1RAB9ANPC1
SCHEMBL30828549 0.70 ALDH1A1 (0.58) MCHR1CYP19A1RAB9ANPC1

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 3913/4885CYP19A1 3958/4885

“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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