SCHEMBL907922

SCHEMBL907922

CCOc1cccc([N+](=O)[O-])c1N

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
LMNA P02545 3/20 0.57
MAPT P10636 4/20 0.54
KMT2A Q03164 3/20 0.54
RECQL P46063 2/20 0.54
MEN1 O00255 2/20 0.54
MAPK1 P28482 1/20 0.54
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 2/20 0.47
HTT P42858 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL30967467 0.87 NPC1 (0.56) ALDH1A1LMNAMAPTKMT2ARECQL
SCHEMBL11545921 0.86 NPC1 (0.68) ALDH1A1LMNAMAPTKMT2ARECQL
SCHEMBL11544509 0.86 NPC1 (0.53) ALDH1A1LMNAMAPTKMT2ARECQL
SCHEMBL11545932 0.85 NPC1 (0.61) ALDH1A1LMNAMAPTKMT2ARECQL
SCHEMBL11545573 0.85 NPC1 (0.61) ALDH1A1LMNAMAPTKMT2ARECQL
SCHEMBL248876 0.84 NPC1 (0.53) ALDH1A1LMNAMAPTKMT2ARECQL
SCHEMBL13498219 0.83 NPC1 (0.50) ALDH1A1LMNAMAPTKMT2ARECQL
SCHEMBL5799758 0.83 ALDH1A1 (0.54) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL214555 0.83 NPC1 (0.58) ALDH1A1LMNAMAPTKMT2ARECQL
SCHEMBL30159613 0.82 ALDH1A1 (0.79) ALDH1A1LMNAMAPTKMT2ARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100456398-C Electrolyte for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORP (JP) 2009-01-28 CN claimed
CN-1529892-A Electrolyte for driving electrolytic capacitor and electrolytic capacitor 如碧空株式会社 2004-09-15 CN claimed
CN-117384140-B Benzimidazole derivative and application thereof 沈阳药科大学 2024-10-11 CN disclosed
CN-117384140-A Benzimidazole derivative and application thereof 沈阳药科大学 2024-01-12 CN disclosed
US-10040767-B2 Benzimidazole derivatives and uses thereof PELOTON THERAPEUTICS, INC. (US) 2018-08-07 US disclosed
US-20170088523-A1 BENZIMIDAZOLE DERIVATIVES AND USES THEREOF PELOTON THERAPEUTICS, INC. 2017-03-30 US disclosed
WO-2015175845-A1 BENZIMIDAZOLE DERIVATIVES AND USES THEREOF PELOTON THERAPEUTICS, INC. (US) 2015-11-19 WO disclosed
US-20110053907-A1 SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2011-03-03 US disclosed
EP-2276750-A2 SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY Auckland Uniservices Limited (NZ) 2011-01-26 EP disclosed
WO-2009120094-A2 SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2009-10-01 WO disclosed
CN-100456398-C Electrolyte for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORP (JP) 2009-01-28 CN disclosed
CN-1529892-A Electrolyte for driving electrolytic capacitor and electrolytic capacitor 如碧空株式会社 2004-09-15 CN 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 (3 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-20170088523-A1 BENZIMIDAZOLE DERIVATIVES AND USES THEREOF ACSS2, GLS2, ACSL3 ALDH1A1 176/4885LMNA 3141/4885MAPT 4860/4885
US-20110053907-A1 SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY PIK3CA, PIK3R5, PIK3CD ALDH1A1 2617/4885LMNA 4096/4885MAPT 4526/4885
US-10040767-B2 Benzimidazole derivatives and uses thereof ACSS2, GLS2, ACSL3 ALDH1A1 176/4885LMNA 3141/4885MAPT 4860/4885

“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.