SCHEMBL6832746

SCHEMBL6832746

Cc1ccc([N+](=O)[O-])c(Nc2ccccn2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.61
KMT2A Q03164 6/20 0.61
MAPT P10636 7/20 0.57
NPC1 O15118 5/20 0.57
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 3/20 0.57
RAB9A P51151 3/20 0.57
LMNA P02545 3/20 0.57
MITF O75030 2/20 0.57
TDP1 Q9NUW8 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
MAPK10 P53779 1/20 0.47
GFER P55789 1/20 0.47
CASP3 P42574 2/20 0.47
TDP2 O95551 1/20 0.47
HSP90AA1 P07900 1/20 0.47
MAPK1 P28482 1/20 0.47
BLM P54132 1/20 0.47
CASP7 P55210 1/20 0.47

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
SCHEMBL31220843 0.89 MEN1 (0.73) MEN1KMT2AMAPTNPC1KDM4E
SCHEMBL19062115 0.83 MEN1 (0.61) MEN1KMT2AMAPTNPC1KDM4E
SCHEMBL4929418 0.83 MEN1 (0.61) MEN1KMT2AMAPTNPC1KDM4E
SCHEMBL11900688 0.83 MEN1 (0.61) MEN1KMT2AMAPTNPC1KDM4E
SCHEMBL29744982 0.82 MEN1 (0.71) MEN1KMT2AMAPTNPC1KDM4E
SCHEMBL4810409 0.82 MEN1 (0.71) MEN1KMT2AMAPTNPC1KDM4E
SCHEMBL4905065 0.81 MEN1 (0.55) MEN1KMT2AMAPTNPC1KDM4E
SCHEMBL4942989 0.79 ALDH1A1 (0.61) MEN1KMT2AMAPTNPC1KDM4E
SCHEMBL31220868 0.79 MEN1 (0.67) MEN1KMT2AMAPTNPC1KDM4E
SCHEMBL2330493 0.78 L3MBTL1 (0.65) MEN1KMT2AMAPTALDH1A1LMNA

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-20040181062-A1 Benzimidazole cyclooxygenase-2 inhibitor PFIZER INC 2004-09-16 US disclosed
US-6713482-B2 SUCH AS (E)-1-(2-PYRIDYL)-2-STYRYL-1H-BENZIMIDAZOLE; ANTIINFLAMMATORY AND ANALGESIC AGENTS; PROSTAGLANDIN INHIBITORS PFIZER INC. 2004-03-30 US disclosed
US-20030013886-A1 Benzimidazole cyclooxygenase-2 inhibitors OKUMURA YOSHIYUKI (JP) 2003-01-16 US disclosed
EP-0937722-B1 Benzimidazole derivatives as cyclooxygenase-2 inhibitors PFIZER (US) 2002-07-03 EP disclosed
US-6310079-B1 NON-STEROIDAL ANTIINFLAMMATORY AGENTS PFIZER INC. 2001-10-30 US disclosed
EP-0937722-A1 Benzimidazole derivatives as cyclooxygenase-2 inhibitors PFIZER INC. (US) 1999-08-25 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-20030013886-A1 Benzimidazole cyclooxygenase-2 inhibitors PTGS1, CBR1, CBR3 MEN1 4840/4885KMT2A 1611/4885MAPT 4772/4885
US-20040181062-A1 Benzimidazole cyclooxygenase-2 inhibitor PTGS1, CBR1, CBR3 MEN1 4821/4885KMT2A 1403/4885MAPT 4736/4885

“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.