SCHEMBL3306340

SCHEMBL3306340

O=[N+]([O-])c1ccccc1-c1nc2ccccc2n1CCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.61
CASR P41180 3/20 0.49
POLB P06746 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 2/20 0.47
RECQL P46063 1/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HPGD P15428 1/20 0.47
CYP19A1 P11511 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CTSD P07339 1/20 0.45
GUSB P08236 1/20 0.45

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
SCHEMBL29412142 1.00 CFTR (0.61) CFTRCASRPOLBKDM4EMEN1
SCHEMBL29411951 0.89 CFTR (0.72) CFTRKDM4EMEN1KMT2ALMNA
SCHEMBL10475864 0.86 CFTR (0.52) CFTRCASRPOLBKDM4EMEN1
SCHEMBL28381810 0.81 CFTR (0.56) CFTRKDM4EMEN1KMT2ALMNA
SCHEMBL6514222 0.80 ALDH1A1 (0.59) CFTRPOLBKDM4EMEN1KMT2A
SCHEMBL29411968 0.80 ALDH1A1 (0.64) CFTRCASRKDM4EMEN1KMT2A
SCHEMBL28484825 0.80 ALDH1A1 (0.64) CFTRCASRKDM4EMEN1KMT2A
SCHEMBL28901986 0.79 MEN1 (0.58) CASRPOLBKDM4EMEN1KMT2A
SCHEMBL29412050 0.79 MEN1 (0.58) CASRPOLBKDM4EMEN1KMT2A
SCHEMBL6514322 0.79 ALDH1A1 (0.62) CFTRPOLBKDM4EMEN1KMT2A

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-111978301-B Benzimidazole compound with endothelial lipase inhibition effect and application thereof 盐城师范学院 2022-08-02 CN disclosed
CN-111978301-A Benzimidazole compound with endothelial lipase inhibition effect and application thereof 盐城师范学院 2020-11-24 CN disclosed
EP-2479282-B1 Media including nitroreductase enzymatic substrates BIOMERIEUX SA (FR) 2018-03-28 EP disclosed
EP-2155893-B1 NOVEL NITROREDUCTASE ENZYMATIC SUBSTRATES BIOMERIEUX SA (FR) 2016-10-19 EP disclosed
EP-2471944-B1 Novel peptidase substrates BIOMERIEUX SA (FR) 2016-09-14 EP disclosed
EP-2155892-B1 NOVEL PEPTIDASE SUBSTRATES BIOMERIEUX SA (FR) 2015-03-18 EP disclosed
EP-2479282-A1 Media including nitroreductase enzymatic substrates bioMérieux (FR) 2012-07-25 EP disclosed
US-8216800-B2 Substrates for detecting peptidase activity and methods using the substrates BIOMERIEUX (FR) 2012-07-10 US disclosed
EP-2471944-A1 Novel peptidase substrates bioMérieux (FR) 2012-07-04 EP disclosed
US-20100099128-A1 NOVEL PEPTIDASE SUBSTRATES BIOMERIEUX (FR) 2010-04-22 US disclosed
EP-2155892-A2 NOVEL PEPTIDASE SUBSTRATES BIOMERIEUX (FR) 2010-02-24 EP disclosed
WO-2008152306-A2 NOVEL PEPTIDASE SUBSTRATES bioMérieux (FR) 2008-12-18 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 (1 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-20100099128-A1 NOVEL PEPTIDASE SUBSTRATES XPNPEP1, DPEP1, DDAH1 CFTR 2032/4885CASR 959/4885POLB 3410/4885

“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.