SCHEMBL3598013

SCHEMBL3598013

O=[N+]([O-])c1cnc2scnc2c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
KAT2B Q92831 4/20 0.42
TXNRD1 Q16881 2/20 0.40
TXNRD3 Q86VQ6 2/20 0.40
TXNRD2 Q9NNW7 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 2/20 0.37
IDO1 P14902 1/20 0.37
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
PIK3CD O00329 1/20 0.36
EP300 Q09472 1/20 0.36
KAT2A Q92830 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL11316994 0.71 ALDH1A1 (0.41) ALDH1A1KAT2BMEN1KMT2AMAPT
SCHEMBL29517954 0.71 TXNRD1 (0.51) ALDH1A1TXNRD1TXNRD3TXNRD2MAPT
SCHEMBL1011755 0.71 TXNRD1 (0.51) ALDH1A1TXNRD1TXNRD3TXNRD2MAPT
SCHEMBL15300582 0.71 ALDH1A1 (0.45) ALDH1A1KAT2BTXNRD1TXNRD3TXNRD2
SCHEMBL3587546 0.71 SMN1; SMN2 (0.53) ALDH1A1KAT2BMEN1KMT2AMAPT
SCHEMBL15879743 0.70 ALDH1A1 (0.51) ALDH1A1KAT2BMEN1KMT2AMAPT
SCHEMBL31106335 0.70 TXNRD1 (0.50) ALDH1A1TXNRD1TXNRD3TXNRD2MAPT
SCHEMBL6782564 0.69 NQO2 (0.45) ALDH1A1TXNRD1TXNRD3TXNRD2MEN1
SCHEMBL6781909 0.69 ALDH1A1 (0.48) ALDH1A1TXNRD1TXNRD3TXNRD2MEN1
SCHEMBL6782693 0.69 ALDH1A1 (0.45) ALDH1A1TXNRD1TXNRD3TXNRD2MEN1

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 3 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

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 ALDH1A1 1265/4885KAT2B 1761/4885TXNRD1 3078/4885

“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.