SCHEMBL13613577

SCHEMBL13613577

ON=Cc1ccc(Cc2ccc(C=NO)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.50
▸ RAB9A P51151 5/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ NPC1 O15118 4/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ CASP3 P42574 1/20 0.50
▸ SENP8 Q96LD8 1/20 0.50
▸ SENP7 Q9BQF6 1/20 0.50
▸ SENP6 Q9GZR1 1/20 0.50
▸ MAPT P10636 3/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ ACHE P22303 3/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ESR1 P03372 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ PPARG P37231 2/20 0.40
▸ PPARA Q07869 2/20 0.40
▸ APAF1 O14727 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
SCHEMBL10733330 0.89 NPC1 (0.65) KMT2ARAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL5668373 0.84 KMT2A (0.64) KMT2ARAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL4275683 0.84 KMT2A (0.64) KMT2ARAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL4275687 0.84 KMT2A (0.64) KMT2ARAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL4619341 0.83 RAB9A (0.49) KMT2ARAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL4619336 0.83 RAB9A (0.49) KMT2ARAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL12134416 0.81 ALDH1A1 (0.52) KMT2ARAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL505972 0.81 RAB9A (0.47) KMT2ARAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL506660 0.81 ALDH1A1 (0.48) KMT2ARAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL981090 0.81 GAA (0.57) KMT2ARAB9AALDH1A1NPC1SMN1; SMN2

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-8404850-B2 Bis-quaternary pyridinium-aldoxime salts and treatment of exposure to cholinesterase inhibitors SOUTHWEST RESEARCH INSTITUTE (US) 2013-03-26 — — US disclosed
US-20090281144-A1 Bis-quaternary pyridinium-aldoxime salts and treatment of exposure to cholinesterase inhibitors SOUTHWEST RESEARCH INSTITUTE (US) 2009-11-12 — — 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-20090281144-A1 Bis-quaternary pyridinium-aldoxime salts and treatment of exposure to cholinesterase inhibitors PLPBP, PNPO, ALDOA KMT2A 407/4885RAB9A 3654/4885ALDH1A1 163/4885

“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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