SCHEMBL10025490

SCHEMBL10025490

CC(=O)OCC(COC(C)=O)Cc1c(F)ccc([N+](=O)[O-])c1F

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.36
ITGA5 P08648 1/20 0.36
ALDH1A1 P00352 8/20 0.34
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
MAPT P10636 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HIF1A Q16665 1/20 0.32
LMNA P02545 2/20 0.32
RECQL P46063 1/20 0.32
GAA P10253 1/20 0.32
MAP2K1 Q02750 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CASP6 P55212 1/20 0.31
PKM P14618 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL10025492 0.89 ITGB1 (0.35) ITGB1ITGA5ALDH1A1ATMTDP1
SCHEMBL11900588 0.82 ITGB1 (0.39) ITGB1ITGA5ALDH1A1ATMTDP1
SCHEMBL10058264 0.79 ATM (0.39) ALDH1A1ATMTDP1SMN1; SMN2MAPT
SCHEMBL13541781 0.77 PRKCA (0.36) ITGB1ITGA5ALDH1A1LMNA
SCHEMBL10433026 0.77 ITGB1 (0.39) ITGB1ITGA5ALDH1A1ATMTDP1
SCHEMBL10025487 0.76 ALDH1A1 (0.38) ALDH1A1TDP1SMN1; SMN2LMNAKMT2A
SCHEMBL9031916 0.75 ITGB1 (0.38) ITGB1ITGA5ALDH1A1ATMTDP1
SCHEMBL6284303 0.71 PDGFRB (0.43) ALDH1A1ATMTDP1SMN1; SMN2MAPT
SCHEMBL30765972 0.71 PDGFRB (0.43) ALDH1A1ATMTDP1SMN1; SMN2MAPT
SCHEMBL6583252 0.71 CYP1A2 (0.45) ALDH1A1ATMTDP1SMN1; SMN2MAPT

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-8207173-B2 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2012-06-26 US disclosed
US-8207173-B2 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2012-06-26 US disclosed
US-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ISIS PHARMACEUTICALS, INC. (US) 2010-05-27 US disclosed
US-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ISIS PHARMACEUTICALS, INC. (US) 2010-05-27 US disclosed
US-7642265-B2 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2010-01-05 US disclosed
US-7642265-B2 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2010-01-05 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 (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-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ZC3HAV1, NXF1, ZC3HAV1L ITGB1 2168/4885ITGA5 3917/4885ALDH1A1 2763/4885

“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.