SCHEMBL23326705

SCHEMBL23326705

NNC(=O)Cc1ccc[n+](Cc2cn(-c3ccccc3)nn2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.43
NOTUM Q6P988 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 1/20 0.42
MIF P14174 3/20 0.41
CD74 P04233 1/20 0.41
APP P05067 1/20 0.39
GLA P06280 1/20 0.39
MAOB P27338 2/20 0.39
AOC2 O75106 1/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 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
Formic Acid SCHEMBL30801353 0.93 NOTUM (0.38) MAOANOTUML3MBTL1NPC1MIF
Formic Acid SCHEMBL30801354 0.93 NOTUM (0.38) MAOANOTUML3MBTL1NPC1MIF
SCHEMBL23326579 0.85 GLA (0.46) MAOANOTUML3MBTL1NPC1MIF
SCHEMBL26087979 0.79 NPSR1 (0.56) L3MBTL1AOC2MEN1KMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL30801355 0.77 MIF (0.43) MAOANOTUML3MBTL1NPC1MIF
SCHEMBL23326867 0.73 ALDH1A1 (0.40) L3MBTL1AOC2POLBKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL23326865 0.72 L3MBTL1 (0.43) NOTUML3MBTL1NPC1MIFAPP
Formic Acid SCHEMBL30219804 0.71 NPSR1 (0.48) L3MBTL1AOC2CA1CA2MEN1
Trifluoroacetic Acid SCHEMBL30801352 0.71 MIF (0.45) MAOANOTUML3MBTL1NPC1MIF
SCHEMBL30801359 0.70 L3MBTL1 (0.55) MAOANOTUML3MBTL1NPC1MIF

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11885818-B2 Reagent for mass spectrometry ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2024-01-30 US disclosed
US-20210140983-A1 REAGENT FOR MASS SPECTROMETRY ROCHE DIAGNOSTICS OPERATIONS, INC. 2021-05-13 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 (2 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-20210140983-A1 REAGENT FOR MASS SPECTROMETRY SRMS, PTMS, MMAB MAOA 854/4885NOTUM 212/4885L3MBTL1 2526/4885
US-11885818-B2 Reagent for mass spectrometry SRMS, PTMS, MMAB MAOA 854/4885NOTUM 212/4885L3MBTL1 2526/4885

“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.