SCHEMBL7129606

SCHEMBL7129606

C=CCNc1cc(OC)ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 3/20 0.51
HCAR3 P49019 1/20 0.50
AKR1B10 O60218 1/20 0.49
AKR1B1 P15121 1/20 0.49
AKR1C4 P17516 1/20 0.49
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
AKR1C1 Q04828 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
ALPG P10696 1/20 0.48
ALDH1A1 P00352 3/20 0.45
HTR6 P50406 1/20 0.44
BACE1 P56817 1/20 0.44
HPGD P15428 1/20 0.43
HTT P42858 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
SCHEMBL11074643 0.83 MAPT (0.53) MAPTMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL2013684 0.82 SMN1; SMN2 (0.60) MAPTMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL9725384 0.80 ALDH1A1 (0.56) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL10576590 0.79 LMNA (0.68) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL111539 0.79 KAT2B (0.59) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL4309629 0.79 MAPT (0.62) MAPTMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL762553 0.79 SMN1; SMN2 (0.60) MAPTMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL10580319 0.79 MAPT (0.58) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL29392855 0.79 KAT2B (0.59) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL1286500 0.78 MAPT (0.60) MAPTMEN1KMT2AL3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030216582-A1 2-CARBOXAMIDE-BENZIMIDAZOLES USEFUL IN THE TREATMENT AND PREVENTION OF ISCHEMIC REPERFUSION INJURY NIKOLAIDES NICHOLAS (US) 2003-11-20 US disclosed
US-20030087943-A1 2-phencycarbamoyl-benzimidazoles NIKOLAIDES NICHOLAS (US) 2003-05-08 US disclosed
EP-1263737-A1 2-PHENYLCARBAMOYL-BENZIMIDAZOLES THE PROCTER & GAMBLE COMPANY (US) 2002-12-11 EP disclosed
EP-1263736-A1 2-CARBOXAMIDE-BENZIMIDAZOLES USEFUL IN THE TREATMENT AND PREVENTION OF ISCHEMIC REPERFUSION INJURY THE PROCTER & GAMBLE COMPANY (US) 2002-12-11 EP disclosed
WO-2001058878-A1 2-CARBOXAMIDE-BENZIMIDAZOLES USEFUL IN THE TREATMENT AND PREVENTION OF ISCHEMIC REPERFUSION INJURY THE PROCTER & GAMBLE COMPANY (US) 2001-08-16 WO disclosed
WO-2001058879-A1 2-PHENYLCARBAMOYL-BENZIMIDAZOLES THE PROCTER & GAMBLE COMPANY (US) 2001-08-16 WO 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-20030216582-A1 2-CARBOXAMIDE-BENZIMIDAZOLES USEFUL IN THE TREATMENT AND PREVENTION OF ISCHEMIC REPERFUSION INJURY CBR3, BAK1, CBR1 MAPT 4871/4885MEN1 4881/4885KMT2A 2874/4885
US-20030087943-A1 2-phencycarbamoyl-benzimidazoles BRI3BP, CBR3, H1-3 MAPT 4876/4885MEN1 4856/4885KMT2A 2969/4885

“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.