SCHEMBL3921097

SCHEMBL3921097

CNc1cc(CNC(=O)O)ccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.48
KMT2A Q03164 3/20 0.46
LMNA P02545 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 6/20 0.45
HPGD P15428 5/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP2C9 P11712 1/20 0.44
HTT P42858 2/20 0.43
POLB P06746 2/20 0.42
CYP3A4 P08684 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HSP90AA1 P07900 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL3921104 1.00 HCAR3 (0.48) HCAR3KMT2ALMNAL3MBTL1MEN1
SCHEMBL19926298 0.82 HCAR3 (0.50) HCAR3KMT2ALMNAMEN1MAPT
SCHEMBL5881572 0.79 TDP1 (0.53) KMT2ALMNAL3MBTL1MEN1MAPT
SCHEMBL5312469 0.79 ALDH1A1 (0.52) KMT2AMEN1MAPTHPGDCYP1A2
SCHEMBL13680343 0.79 MAPT (0.51) HCAR3KMT2ALMNAL3MBTL1MEN1
SCHEMBL2248120 0.78 MAPT (0.46) HCAR3KMT2ALMNAMAPTHPGD
SCHEMBL2470925 0.78 TSHR (0.49) HCAR3KMT2AMEN1MAPTHPGD
SCHEMBL7426294 0.77 ALDH1A1 (0.46) HCAR3KMT2AL3MBTL1MAPTHPGD
SCHEMBL29875081 0.77 ALDH1A1 (0.46) HCAR3KMT2AL3MBTL1MAPTHPGD
SCHEMBL7241155 0.77 HPGD (0.54) KMT2ALMNAL3MBTL1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514457-B2 Substituted aryloxymethyl bicyclicmethyl acetamide compounds PFIZER INC. (US) 2009-04-07 US disclosed
EP-1893583-A1 SUBSTITUTED ARYLOXY-N-BICYCLOMETHYL ACETAMIDE COMPOUNDS AS VR1 ANTAGONISTS Pfizer, Inc. (US) 2008-03-05 EP disclosed
WO-2006129164-A1 SUBSTITUTED ARYLOXY-N-BICYCLOMETHYL ACETAMIDE COMPOUNDS AS VR1 ANTAGONISTS PFIZER JAPAN INC. (JP) 2006-12-07 WO disclosed
US-20060270682-A1 Substituted Aryloxymethyl Bicyclicmethyl Acetamide Compounds PFIZER, INC. 2006-11-30 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-20060270682-A1 Substituted Aryloxymethyl Bicyclicmethyl Acetamide Compounds NR0B1, NR0B2, NR2C2 HCAR3 42/4885KMT2A 1721/4885LMNA 2592/4885

“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.