SCHEMBL3591269

SCHEMBL3591269

CCOC(=O)c1nc2cc([N+](=O)[O-])cnc2s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.60
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MAOB P27338 1/20 0.43
GAA P10253 3/20 0.42
GLA P06280 1/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
GALR2 O43603 1/20 0.40
MITF O75030 1/20 0.40
LMNA P02545 1/20 0.40
HSP90AA1 P07900 1/20 0.40
XBP1 P17861 1/20 0.40
CCR6 P51684 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL3581572 0.80 MAPT (0.44) MAPTSMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL27243736 0.80 MAPT (0.41) MAPTSMN1; SMN2NPC1KDM4EGAA
SCHEMBL30881402 0.80 MAPT (0.41) MAPTSMN1; SMN2NPC1KDM4EGAA
SCHEMBL20746466 0.79 ACP1 (0.52) MAPTSMN1; SMN2RAB9ANPC1MAOB
SCHEMBL19742275 0.77 NPC1 (0.44) MAPTSMN1; SMN2RAB9ANPC1MAOB
SCHEMBL2380048 0.77 SMN1; SMN2 (0.59) MAPTPOLBSMN1; SMN2RAB9AMAOB
SCHEMBL3587546 0.76 SMN1; SMN2 (0.53) MAPTSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL17859492 0.74 CYP1A2 (0.43) MAPTSMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL25224853 0.74 HSD17B10 (0.41) MAPTSMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL1054721 0.73 MAPT (0.43) MAPTPOLBRAB9ANPC1KDM4E

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-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 MAPT 3251/4885POLB 4421/4885SMN1; SMN2 2207/4885

“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.