SCHEMBL30828549

SCHEMBL30828549

COc1cc(NC(=O)c2ccc(-c3ccc(C(=O)Nc4ccc(N(C)C)c(OC)c4)cc3)cc2)ccc1N(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.58
▸ NPC1 O15118 1/20 0.58
▸ TP53 P04637 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ MCHR1 Q99705 8/20 0.58
▸ USP2 O75604 1/20 0.55
▸ CYP1A2 P05177 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ HTR2C P28335 1/20 0.52
▸ MAPK1 P28482 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ GFER P55789 1/20 0.51
▸ MCL1 Q07820 1/20 0.51
▸ TRPV1 Q8NER1 1/20 0.51
▸ CYP19A1 P11511 1/20 0.51
▸ GAA P10253 1/20 0.50
▸ PLAU P00749 3/20 0.49

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 0.93 MCHR1 (0.52) ALDH1A1NPC1TP53RAB9ASMN1; SMN2
SCHEMBL30828585 0.81 RAB9A (0.54) ALDH1A1NPC1TP53RAB9AMCHR1
SCHEMBL30828604 0.80 MAPT (0.55) NPC1RAB9ASMN1; SMN2MCHR1POLB
SCHEMBL30828574 0.80 PTPN1 (0.55) NPC1RAB9AMCHR1MAPTTRPV1
SCHEMBL30828598 0.80 MAPT (0.51) NPC1RAB9AMAPTTRPV1CYP19A1
SCHEMBL27193221 0.78 NPC1 (0.58) ALDH1A1NPC1TP53RAB9ASMN1; SMN2
SCHEMBL30828564 0.77 MAPT (0.55) NPC1RAB9AMCHR1LMNAMAPT
SCHEMBL3296193 0.76 MCHR1 (0.69) ALDH1A1NPC1TP53RAB9ASMN1; SMN2
SCHEMBL10035266 0.75 MCHR1 (0.49) MCHR1USP2POLBHTR2CMAPT
SCHEMBL30828571 0.75 MCHR1 (0.50) MCHR1HTR2CCYP19A1

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 ALDH1A1 2841/4885NPC1 2211/4885TP53 2269/4885

“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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