SCHEMBL5644271

SCHEMBL5644271

COCc1[nH][nH]c(=O)c1Cc1ccccc1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.44
DRD2 P14416 2/20 0.44
PDE9A O76083 1/20 0.43
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
PDE1C Q14123 1/20 0.43
ABCB1 P08183 6/20 0.43
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
HRH1 P35367 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 2/20 0.39
ABCG2 Q9UNQ0 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
SCHEMBL5643056 0.89 GAA (0.46) HTR1ADRD2PDE9APDE1APDE1B
SCHEMBL5643270 0.80 SLC5A1 (0.46) HTR1ADRD2PDE9APDE1APDE1B
SCHEMBL4857375 0.80 PDE9A (0.56) HTR1ADRD2PDE9APDE1APDE1B
SCHEMBL5646161 0.78 SLC5A1 (0.46) HTR1ADRD2PDE9APDE1APDE1B
SCHEMBL5646148 0.76 HTR1A (0.43) HTR1ADRD2PDE9APDE1APDE1B
SCHEMBL2088766 0.74 HTR1A (0.65) HTR1ADRD2ABCB1GAAL3MBTL1
SCHEMBL10601013 0.71 DRD2 (0.69) HTR1ADRD2ABCB1GAAL3MBTL1
SCHEMBL5645745 0.71 ABCB1 (0.55) HTR1ADRD2PDE9APDE1APDE1B
SCHEMBL5644790 0.70 SLC1A5 (0.47) HTR1ADRD2PDE9APDE1APDE1B
SCHEMBL1894256 0.70 HTR1A (0.67) HTR1ADRD2ABCB1GAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217697-B2 Glucopyranosyloxypyrazole derivative medicinal composition containing the same medicinal use thereof and intermediate therefor KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-05-15 US disclosed
US-20040176308-A1 Glucopyranosyloxypyrazole derivative medicinal composition containing the same medicinal use thereof and intermediate therefor KISSEI PHARMACEUTICAL CO., LTD. (JP) 2004-09-09 US disclosed
EP-1400529-A1 GLUCOPYRANOSYLOXYPYRAZOLE DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE THEREFOR Kissei Pharmaceutical Co., Ltd. (JP) 2004-03-24 EP 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-20040176308-A1 Glucopyranosyloxypyrazole derivative medicinal composition containing the same medicinal use thereof and intermediate therefor SLC5A1, SLC5A2, UGGT1 HTR1A 1373/4885DRD2 2497/4885PDE9A 3540/4885

“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.