SCHEMBL1369397

SCHEMBL1369397

O=C(O)c1nc2ccccc2cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
RAB9A P51151 2/20 0.50
HTT P42858 1/20 0.48
ATM Q13315 1/20 0.48
CASP6 P55212 2/20 0.45
CDK2 P24941 1/20 0.44
APEX1 P27695 1/20 0.43
MGAM O43451 2/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
NPC1 O15118 1/20 0.41
POLB P06746 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
SCHEMBL358410 0.78 RAB9A (0.58) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL9120430 0.76 RAB9A (0.55) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL1682777 0.76 RAB9A (0.55) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
Acridine SCHEMBL27545385 0.75 RAB9A (0.63) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6312816 0.75 KMT2A (0.60) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL14661558 0.75 RAB9A (0.54) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL2011678 0.75 RAB9A (0.54) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL28818163 0.75 RAB9A (0.54) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL11108095 0.75 RAB9A (0.54) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL2425847 0.75 HTT (0.58) KMT2AMEN1ALDH1A1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7539006-B2 Electrolytic solution for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORPORATION (JP) 2009-05-26 US claimed
US-20070029529-A1 Electrolytic solution for driving electrolytic capacitor and electrolytic capacitor KOMATSU AKIHIKO 2007-02-08 US claimed
US-20040245105-A1 Electrolyte solution for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORPORATION (JP) 2004-12-09 US claimed
EP-1437749-A1 ELECTROLYTE SOLUTION FOR DRIVING ELECTROLYTIC CAPACITOR AND ELECTROLYTIC CAPACITOR Rubycon Corporation (JP) 2004-07-14 EP claimed
US-20130101509-A1 IMAGING AND RADIOTHERAPY METHODS GENERAL ELECTRIC COMPANY (US) 2013-04-25 US disclosed
WO-2013048832-A1 18 F - LABELLED 6 - ( 2 - FLUOROETHOXY) - 2 - NAPHTHALDEHYDE FOR DETECTING CANCER STEM CELLS GE HEALTHCARE LIMITED (GB) 2013-04-04 WO disclosed
US-20110286922-A1 IMAGING AND RADIOTHERAPY METHODS GENERAL ELECTRIC COMPANY 2011-11-24 US disclosed
CN-102186505-A Imaging and radiation therapy method GE HEALTHCARE 2011-09-14 CN disclosed
EP-2349351-A2 IMAGING AND RADIOTHERAPY METHODS GE Healthcare Limited (GB) 2011-08-03 EP disclosed
WO-2010048144-A2 IMAGING AND RADIOTHERAPY METHODS GE HEALTHCARE LIMITED (GB) 2010-04-29 WO disclosed
US-7539006-B2 Electrolytic solution for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORPORATION (JP) 2009-05-26 US disclosed
US-20070029529-A1 Electrolytic solution for driving electrolytic capacitor and electrolytic capacitor KOMATSU AKIHIKO 2007-02-08 US disclosed
US-20040245105-A1 Electrolyte solution for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORPORATION (JP) 2004-12-09 US disclosed
EP-1437749-A1 ELECTROLYTE SOLUTION FOR DRIVING ELECTROLYTIC CAPACITOR AND ELECTROLYTIC CAPACITOR Rubycon Corporation (JP) 2004-07-14 EP 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-20130101509-A1 IMAGING AND RADIOTHERAPY METHODS ALDH2, ALDH3A1, ALDH1A1 KMT2A 1972/4885MEN1 2884/4885ALDH1A1 3/4885
US-20110286922-A1 IMAGING AND RADIOTHERAPY METHODS ALDH2, ALDH3A1, ALDH1A1 KMT2A 1972/4885MEN1 2884/4885ALDH1A1 3/4885

“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.