SCHEMBL3575249

SCHEMBL3575249

O=[N+]([O-])c1ccc2oc(CO)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
ALDH1A1 P00352 4/20 0.57
RAB9A P51151 9/20 0.56
NPC1 O15118 7/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MAPT P10636 6/20 0.54
MCL1 Q07820 1/20 0.53
ATM Q13315 1/20 0.53
POLB P06746 3/20 0.51
KDM4E B2RXH2 1/20 0.48
DAGLA Q9Y4D2 1/20 0.48
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CA12 O43570 1/20 0.42

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
SCHEMBL8139921 0.85 RAB9A (0.56) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL3758564 0.85 RAB9A (0.56) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL2353937 0.85 RAB9A (0.56) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL9641204 0.85 RAB9A (0.56) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL12394351 0.85 RAB9A (0.60) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL27718163 0.84 RAB9A (0.54) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL31312575 0.82 ALDH1A1 (0.60) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL7109163 0.81 RAB9A (0.52) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL38661540 0.81 RAB9A (0.56) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL30358395 0.81 RAB9A (0.53) MEN1KMT2AALDH1A1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US disclosed
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US disclosed
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US disclosed
EP-1954132-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2008-08-13 EP disclosed
WO-2007100758-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-09-07 WO disclosed
WO-2007100758-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-09-07 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 (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-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 MEN1 4500/4885KMT2A 4280/4885ALDH1A1 1265/4885

“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.