SCHEMBL30828598

SCHEMBL30828598

CN(C)c1ccc(NC(=O)c2ccc(-c3ccc(C(=O)Nc4ccc(N(C)C)c(Br)c4)cc3)cc2)cc1Br

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.51
▸ PTPN1 P18031 5/20 0.47
▸ KCNK3 O14649 1/20 0.47
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ PARP1 P09874 1/20 0.46
▸ CYP19A1 P11511 1/20 0.45
▸ XBP1 P17861 1/20 0.45
▸ DEGS1 O15121 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
SCHEMBL30828585 0.84 RAB9A (0.54) MAPTPTPN1KCNK3HDAC6RAB9A
SCHEMBL30828604 0.82 MAPT (0.55) MAPTPTPN1KCNK3RAB9ANPC1
SCHEMBL30828574 0.82 PTPN1 (0.55) MAPTPTPN1KCNK3RAB9ANPC1
SCHEMBL30828549 0.80 ALDH1A1 (0.58) MAPTRAB9ANPC1CYP19A1TRPV1
SCHEMBL17813057 0.80 NPC1 (0.59) HDAC1RAB9ANPC1MEN1KMT2A
SCHEMBL30828564 0.79 MAPT (0.55) MAPTPTPN1RAB9ANPSR1NPC1
SCHEMBL27193247 0.77 MAPT (0.51) MAPTPTPN1RAB9ANPSR1NPC1
SCHEMBL26815735 0.75 NPC1 (0.59) MAPTPTPN1HDAC6RAB9ANPSR1
SCHEMBL30828562 0.74 HDAC1 (0.69) MAPTPTPN1KCNK3HDAC1HDAC6
SCHEMBL30828576 0.74 MCHR1 (0.52) MAPTPTPN1RAB9ANPC1KMT2A

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 MAPT 3344/4885PTPN1 937/4885KCNK3 1088/4885

“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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