SCHEMBL3469461

SCHEMBL3469461

O=[N+]([O-])c1cn2c(n1)OCCC2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.39
KCNH2 Q12809 5/20 0.38
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
POLB P06746 2/20 0.34
ACHE P22303 1/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
CACNA1C Q13936 1/20 0.30
SCN5A Q14524 1/20 0.30

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
SCHEMBL1046316 0.90 CHRM1 (0.40) CHRM1KCNH2ALDH1A1MAPTKMT2A
SCHEMBL14965567 0.82 CHRM1 (0.36) CHRM1KCNH2ALDH1A1MAPTLMNA
SCHEMBL14965372 0.82 KCNH2 (0.38) CHRM1KCNH2ALDH1A1MAPTNPC1
Hydrochloric Acid SCHEMBL14965816 0.81 CHRM1 (0.36) CHRM1KCNH2ALDH1A1MAPTLMNA
SCHEMBL14965846 0.78 HTT (0.39) CHRM1KCNH2ALDH1A1MAPTKMT2A
SCHEMBL14965559 0.76 KMT2A (0.42) CHRM1ALDH1A1MAPTKMT2ALMNA
SCHEMBL14966101 0.76 CHRM1 (0.35) CHRM1KCNH2ALDH1A1POLBCACNA1C
SCHEMBL14965717 0.76 CHRM1 (0.35) CHRM1KCNH2ALDH1A1MAPTLMNA
SCHEMBL14965582 0.76 HSD17B10 (0.38) CHRM1KCNH2ALDH1A1MAPTKMT2A
SCHEMBL14966340 0.75 KMT2A (0.46) ALDH1A1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230381142-A1 ANTILEISHMANIAL COMPOUNDS, COMPOSITIONS AND USE THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2023-11-30 US disclosed
WO-2023230217-A1 ANTILEISHMANIAL COMPOUNDS, COMPOSITIONS AND USE THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2023-11-30 WO disclosed
US-20120028973-A1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2012-02-02 US disclosed
WO-2011087995-A2 ORGANIC COMPOUNDS BARRY CLIFTON (US) 2011-07-21 WO disclosed
US-7678791-B2 Nitroheteroaryl-containing rifamycin derivatives CUMBRE IP VENTURES, L.P. (US) 2010-03-16 US disclosed
US-7666864-B2 Bicyclic nitroimidazole-substituted phenyl oxazolidinones GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2010-02-23 US disclosed
US-20090281088-A1 BICYCLIC NITROIMIDAZOLE-SUBSTITUTED PHENYL OXAZOLIDINONES GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2009-11-12 US disclosed
US-20080139577-A1 Nitroheteroaryl-containing rifamycin derivatives CUMBRE PHARMACEUTICALS INC. (US) 2008-06-12 US disclosed
WO-2008008480-A2 NITROHETEROARYL-CONTAINING RIFAMYCIN DERIVATIVES CUMBRE PHARMACEUTICALS INC. (US) 2008-01-17 WO 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 (4 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-20230381142-A1 ANTILEISHMANIAL COMPOUNDS, COMPOSITIONS AND USE THEREOF MPO, SSB, SGMS2 CHRM1 3109/4885KCNH2 3964/4885ALDH1A1 3079/4885
US-20090281088-A1 BICYCLIC NITROIMIDAZOLE-SUBSTITUTED PHENYL OXAZOLIDINONES O60361, OXA1L, TBCD CHRM1 4053/4885KCNH2 3070/4885ALDH1A1 2303/4885
US-20120028973-A1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY NOX5, MT-ND5, NQO1 CHRM1 1375/4885KCNH2 3157/4885ALDH1A1 1870/4885
US-20080139577-A1 Nitroheteroaryl-containing rifamycin derivatives NRDC, FNTB, RIF1 CHRM1 4498/4885KCNH2 3167/4885ALDH1A1 1997/4885

“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.