SCHEMBL30828587

SCHEMBL30828587

C#CCCCCOc1cc(NC(=O)c2ccc(-c3ccc(C(=O)Nc4ccc(N(C)C)c(F)c4)cc3)cc2)ccc1N(C)C

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 12/20 0.48
▸ CYP19A1 P11511 3/20 0.46
▸ KDR P35968 2/20 0.43
▸ HTR2C P28335 1/20 0.42
▸ BCL9 O00512 2/20 0.41
▸ CTNNB1 P35222 2/20 0.41
▸ KDM1A O60341 1/20 0.39
▸ MAOB P27338 1/20 0.39

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
SCHEMBL30828571 0.94 MCHR1 (0.50) MCHR1CYP19A1KDRHTR2CBCL9
SCHEMBL27193258 0.82 MCHR1 (0.46) MCHR1CYP19A1KDRHTR2CBCL9
SCHEMBL30828576 0.81 MCHR1 (0.52) MCHR1CYP19A1HTR2C
SCHEMBL30828574 0.81 PTPN1 (0.55) MCHR1CYP19A1
SCHEMBL30828580 0.81 PTPN1 (0.43) MCHR1CYP19A1KDM1AMAOB
SCHEMBL27193269 0.76 MCHR1 (0.47) MCHR1CYP19A1KDRHTR2CBCL9
SCHEMBL30828549 0.74 ALDH1A1 (0.58) MCHR1CYP19A1HTR2C
SCHEMBL30828560 0.71 MAPK14 (0.45) MCHR1
SCHEMBL30828585 0.68 RAB9A (0.54) MCHR1CYP19A1
SCHEMBL30828598 0.67 MAPT (0.51) CYP19A1

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 MCHR1 3913/4885CYP19A1 3958/4885KDR 4639/4885

“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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