SCHEMBL7350393

SCHEMBL7350393

COC(=O)CCc1nc2ccc([N+](=O)[O-])cc2[nH]1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.67
ALDH1A1 P00352 5/20 0.67
MAPT P10636 5/20 0.67
LMNA P02545 3/20 0.67
KCNJ1 P48048 2/20 0.67
PKM P14618 2/20 0.65
RIPK1 Q13546 4/20 0.55
GRIN1 Q05586 1/20 0.51
GRIN2B Q13224 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
GAA P10253 2/20 0.50
HTT P42858 2/20 0.50
NPBWR1 P48145 2/20 0.50
PLA2G1B P04054 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
USP2 O75604 1/20 0.50

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
SCHEMBL7350400 0.91 KDM4E (0.54) KDM4EALDH1A1MAPTLMNAKCNJ1
SCHEMBL28307941 0.88 KDM4E (0.68) KDM4EALDH1A1MAPTLMNAKCNJ1
SCHEMBL28291116 0.87 KDM4E (0.63) KDM4EALDH1A1MAPTLMNAKCNJ1
SCHEMBL16197999 0.85 MAPT (0.73) KDM4EALDH1A1MAPTLMNAKCNJ1
SCHEMBL28291150 0.85 KDM4E (0.66) KDM4EALDH1A1MAPTLMNAKCNJ1
SCHEMBL8601357 0.81 KDM4E (1.00) KDM4EALDH1A1MAPTLMNAKCNJ1
SCHEMBL9642133 0.81 MAPT (1.00) KDM4EALDH1A1MAPTLMNAKCNJ1
SCHEMBL2145376 0.80 KCNJ1 (0.80) KDM4EALDH1A1MAPTLMNAKCNJ1
SCHEMBL7033535 0.79 MAPT (0.91) KDM4EALDH1A1MAPTLMNAKCNJ1
SCHEMBL28307940 0.79 MAPT (0.63) KDM4EALDH1A1MAPTLMNAKCNJ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109988794-B Method for synthesizing nitrobenzimidazole derivatives through enzyme catalysis in continuous flow reactor 浙江农林大学 2023-06-13 CN disclosed
CN-109988794-A A method of the Enzyme catalyzed synthesis nitrobenzimidazole analog derivative in continuous flow reactor 浙江农林大学 2019-07-09 CN disclosed
US-9643933-B2 Compounds useful as antibiotic tolerance inhibitors THE GENERAL HOSPITAL CORPORATION (US) 2017-05-09 US disclosed
US-9643933-B2 Compounds useful as antibiotic tolerance inhibitors THE GENERAL HOSPITAL CORPORATION (US) 2017-05-09 US disclosed
US-20160052890-A1 COMPOUNDS USEFUL AS ANTIBIOTIC TOLERANCE INHIBITORS THE GENERAL HOSPITAL CORPORATION (US) 2016-02-25 US disclosed
US-20160052890-A1 COMPOUNDS USEFUL AS ANTIBIOTIC TOLERANCE INHIBITORS THE GENERAL HOSPITAL CORPORATION (US) 2016-02-25 US disclosed
WO-2014176258-A1 COMPOUNDS USEFUL AS ANTIBIOTIC TOLERANCE INHIBITORS THE GENERAL HOSPITAL CORPORATION (US) 2014-10-30 WO disclosed
US-5741804-A Substituted benzimazoles which inhibit platelet aggrecation SMITHKLINE BEECHAM CORPORATION (US) 1998-04-21 US disclosed
EP-0672034-A4 BENZIMIDAZOLE COMPOUNDS WHICH INHIBIT PLATELET AGGREGATION. SMITHKLINE BEECHAM CORP (US) 1996-09-25 EP disclosed
EP-0672034-A1 BENZIMIDAZOLE COMPOUNDS WHICH INHIBIT PLATELET AGGREGATION SMITHKLINE BEECHAM CORPORATION (US) 1995-09-20 EP disclosed
WO-1994012478-A1 BENZIMIDAZOLE COMPOUNDS WHICH INHIBIT PLATELET AGGREGATION SMITHKLINE BEECHAM CORPORATION (US) 1994-06-09 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-20160052890-A1 COMPOUNDS USEFUL AS ANTIBIOTIC TOLERANCE INHIBITORS CFTR, SLC11A2, MRPS18A KDM4E 1749/4885ALDH1A1 2988/4885MAPT 4629/4885

“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.