SCHEMBL10025488

SCHEMBL10025488

OCC(CO)Cc1c(F)cccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
DPP4 P27487 1/20 0.38
TAAR1 Q96RJ0 1/20 0.36
KDM4E B2RXH2 3/20 0.36
CES2 O00748 4/20 0.35
CES1 P23141 4/20 0.35
BCHE P06276 1/20 0.35
BACE1 P56817 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EPHX1 P07099 1/20 0.32
HTT P42858 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TRPA1 O75762 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
MMP1 P03956 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
SCHEMBL10058270 0.80 GAA (0.37) GAADPP4TAAR1KDM4ECES2
SCHEMBL6204700 0.78 CES2 (0.37) GAADPP4TAAR1KDM4ECES2
SCHEMBL18322389 0.74 TRPA1 (0.34) DPP4TAAR1TRPA1
SCHEMBL21443338 0.74 KDM4E (0.37) GAADPP4TAAR1KDM4EALDH1A1
SCHEMBL6204698 0.74 CES2 (0.38) GAADPP4TAAR1KDM4ECES2
SCHEMBL2422907 0.73 GAA (0.38) GAADPP4TAAR1KDM4ECES2
SCHEMBL6201835 0.72 THRB (0.36) GAADPP4TAAR1KDM4ECES2
SCHEMBL113326 0.72 TAAR1 (0.48) GAATAAR1KDM4ECES2CES1
SCHEMBL170907 0.71 GABRA1 (0.43) GAATAAR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL21370748 0.71 KDM4E (0.35) GAATAAR1KDM4EALDH1A1SMN1; SMN2

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 GAA 1456/4885DPP4 712/4885TAAR1 4271/4885

“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.