SCHEMBL10305752

SCHEMBL10305752

CC(C)(C)OC(=O)NCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
ALOX5 P09917 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4A O75164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
HTT P42858 1/20 0.40
NAMPT P43490 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL31710727 0.92 ALOX5 (0.44) MAPTALOX5SMN1; SMN2NPC1RAB9A
SCHEMBL30313121 0.91 GAA (0.43) MAPTALOX5SMN1; SMN2NPC1RAB9A
SCHEMBL8664177 0.90 MAPT (0.45) MAPTALOX5SMN1; SMN2NPC1RAB9A
SCHEMBL28566645 0.88 CACNA1H (0.46) MAPTALOX5SMN1; SMN2NPC1RAB9A
SCHEMBL8649124 0.87 MAPT (0.46) MAPTALOX5SMN1; SMN2NPC1RAB9A
SCHEMBL1019102 0.86 MAPT (0.55) MAPTALOX5SMN1; SMN2NPC1RAB9A
SCHEMBL372131 0.85 PPARG (0.51) MAPTL3MBTL1PPARGPPARANAMPT
SCHEMBL13055397 0.82 KDM4A (0.51) KDM4AL3MBTL1NAMPTCA1CA2
SCHEMBL18664385 0.82 HDAC1 (0.49) L3MBTL1PPARGPPARANAMPTCA1
SCHEMBL27262445 0.82 PPARG (0.48) MAPTRAB9AL3MBTL1PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006459-B2 Fluorescent markers and use thereof for labeling specific protein targets UNIVERSITY OF OTTAWA (CA) 2015-04-14 US disclosed
US-9006459-B2 Fluorescent markers and use thereof for labeling specific protein targets UNIVERSITY OF OTTAWA (CA) 2015-04-14 US disclosed
US-20150004712-A1 FLUORESCENT MARKERS AND USE THEREOF FOR LABELING SPECIFIC PROTEIN TARGETS UNIVERSITY OF OTTAWA (CA) 2015-01-01 US disclosed
US-20150004712-A1 FLUORESCENT MARKERS AND USE THEREOF FOR LABELING SPECIFIC PROTEIN TARGETS UNIVERSITY OF OTTAWA (CA) 2015-01-01 US disclosed
US-8835641-B2 Fluorescent markers and use thereof for labeling specific protein targets UNIVERSITY OF OTTAWA (CA) 2014-09-16 US disclosed
US-8835641-B2 Fluorescent markers and use thereof for labeling specific protein targets UNIVERSITY OF OTTAWA (CA) 2014-09-16 US disclosed
US-20120171665-A1 FLUORESCENT MARKERS AND USE THEREOF FOR LABELING SPECIFIC PROTEIN TARGETS UNIVERSITE DE MONTREAL (CA) 2012-07-05 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 (2 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-20120171665-A1 FLUORESCENT MARKERS AND USE THEREOF FOR LABELING SPECIFIC PROTEIN TARGETS HNRNPH1, HNRNPH3, HNRNPC MAPT 4697/4885ALOX5 3515/4885SMN1; SMN2 4074/4885
US-20150004712-A1 FLUORESCENT MARKERS AND USE THEREOF FOR LABELING SPECIFIC PROTEIN TARGETS HNRNPH1, HNRNPH3, HNRNPC MAPT 4697/4885ALOX5 3515/4885SMN1; SMN2 4074/4885

“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.