SCHEMBL585128

SCHEMBL585128

CN(C(=O)O)c1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
HIF1A Q16665 1/20 0.49
LMNA P02545 6/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 2/20 0.47
VCAM1 P19320 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
PTGS2 P35354 1/20 0.43
RECQL P46063 1/20 0.41
GAA P10253 1/20 0.41
HCAR3 P49019 1/20 0.41
CA1 P00915 1/20 0.40
MMP2 P08253 1/20 0.40
CA14 Q9ULX7 1/20 0.40
ITGB1 P05556 1/20 0.40
ITGA5 P08648 1/20 0.40
ATM Q13315 1/20 0.39

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
SCHEMBL585127 1.00 ALDH1A1 (0.49) ALDH1A1HIF1ALMNAMEN1KMT2A
SCHEMBL18147351 0.88 ATM (0.50) ALDH1A1HIF1ALMNAMEN1KMT2A
SCHEMBL18147353 0.88 ATM (0.50) ALDH1A1HIF1ALMNAMEN1KMT2A
SCHEMBL585617 0.88 ALDH1A1 (0.49) ALDH1A1HIF1ALMNAMEN1KMT2A
SCHEMBL6023991 0.84 ATM (0.53) ALDH1A1HIF1ALMNAMEN1KMT2A
SCHEMBL15562757 0.84 ALDH1A1 (0.45) ALDH1A1HIF1ALMNAMEN1KMT2A
SCHEMBL14697983 0.84 ALDH1A1 (0.45) ALDH1A1HIF1ALMNAMEN1KMT2A
SCHEMBL11765935 0.83 TSHR (0.57) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL11765920 0.83 TSHR (0.57) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL29559175 0.82 MAPT (0.61) ALDH1A1HIF1ALMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797077-B1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF I ASTRAZENECA AB (SE) 2012-02-15 EP disclosed
US-7501447-B2 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2009-03-10 US disclosed
US-20070072853-A1 Benzimidazole derivatives compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2007-03-29 US disclosed
US-20060205802-A1 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2006-09-14 US 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-20070072853-A1 Benzimidazole derivatives compositions containing them, preparation thereof and uses thereof RB1, CYP2C19, ADRB3 ALDH1A1 165/4885HIF1A 1702/4885LMNA 1900/4885
US-20060205802-A1 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof H1-3, CYP2C19, CYP3A4 ALDH1A1 370/4885HIF1A 2137/4885LMNA 2500/4885

“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.