SCHEMBL30801359

SCHEMBL30801359

COC(=O)c1cc[n+](Cc2cn(-c3ccccc3)nn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.55
POLB P06746 2/20 0.55
ALDH1A1 P00352 1/20 0.51
NPC1 O15118 1/20 0.49
APP P05067 2/20 0.48
NOTUM Q6P988 2/20 0.48
MIF P14174 1/20 0.47
GLA P06280 1/20 0.47
PKM P14618 1/20 0.46
PSMD10 O75832 1/20 0.46
MAOA P21397 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 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
Trifluoroacetic Acid SCHEMBL23326692 0.92 L3MBTL1 (0.47) L3MBTL1POLBALDH1A1NPC1APP
Trifluoroacetic Acid SCHEMBL23326865 0.81 L3MBTL1 (0.43) L3MBTL1POLBALDH1A1NPC1APP
SCHEMBL23326579 0.77 GLA (0.46) L3MBTL1POLBALDH1A1NPC1APP
SCHEMBL19126510 0.76 PSMD10 (0.55) L3MBTL1POLBNPC1APPNOTUM
Trifluoroacetic Acid SCHEMBL30801352 0.76 MIF (0.45) L3MBTL1POLBALDH1A1NPC1APP
SCHEMBL21990759 0.73 PKM (0.75) ALDH1A1NPC1PKM
SCHEMBL12571591 0.72 CA12 (0.66) L3MBTL1POLBNPC1NOTUM
SCHEMBL16991673 0.72 PSMD10 (0.53) L3MBTL1POLBALDH1A1NPC1APP
SCHEMBL23326705 0.70 MAOA (0.43) L3MBTL1POLBALDH1A1NPC1APP
SCHEMBL31434856 0.69 NPC1 (0.73) L3MBTL1POLBALDH1A1NPC1APP

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-11885818-B2 Reagent for mass spectrometry ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2024-01-30 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-11885818-B2 Reagent for mass spectrometry SRMS, PTMS, MMAB L3MBTL1 2526/4885POLB 3320/4885ALDH1A1 83/4885

“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.