SCHEMBL5381408

SCHEMBL5381408

Cc1cc(OCc2ccccc2)c(C=O)c(C)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
HTT P42858 3/20 0.54
STAT3 P40763 2/20 0.54
L3MBTL1 Q9Y468 4/20 0.52
MAPT P10636 4/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
LMNA P02545 3/20 0.46
CCNB2 O95067 1/20 0.46
CDK1 P06493 1/20 0.46
CDK4 P11802 1/20 0.46
CCNB1 P14635 1/20 0.46
CCND1 P24385 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
BRD4 O60885 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL31517915 0.86 SMN1; SMN2 (0.51) SMN1; SMN2HTTSTAT3L3MBTL1MAPT
SCHEMBL17372893 0.81 L3MBTL1 (0.47) SMN1; SMN2HTTSTAT3L3MBTL1MAPT
SCHEMBL9454757 0.79 SMN1; SMN2 (0.52) SMN1; SMN2HTTSTAT3L3MBTL1MAPT
SCHEMBL3187563 0.78 L3MBTL1 (0.48) SMN1; SMN2HTTSTAT3L3MBTL1MAPT
SCHEMBL15132075 0.78 AGTR1 (0.46)
SCHEMBL9134502 0.78 HTT (0.54) SMN1; SMN2HTTSTAT3L3MBTL1MAPT
SCHEMBL9176844 0.77 AGTR1 (0.50)
SCHEMBL699119 0.77 SMN1; SMN2 (0.47) SMN1; SMN2HTTSTAT3L3MBTL1MAPT
SCHEMBL17330441 0.77 L3MBTL1 (0.43) SMN1; SMN2HTTSTAT3L3MBTL1MAPT
SCHEMBL26601774 0.76 MRGPRX4 (0.43) SMN1; SMN2HTTSTAT3L3MBTL1MAPT

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-7271153-B2 Treating diseases associated with hyperglycemia such as diabetes; SGLT2 (sodium/glucose cotransporter 2) inhibitor; 3-(4-Ethylbenzyl)-2-(beta-D-glucopyranosyloxy)-4,6-dimethyl-pyridine for example KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-09-18 US disclosed
US-20050049203-A1 Nitrogenous heterocyclic derivative, medicinal composition containing the same, medical use thereof, and intermediate therefor KISSEI PHARMACEUTICAL CO., LTD. (JP) 2005-03-03 US disclosed
EP-1405859-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF AND INTERMEDIATE THEREFOR Kissei Pharmaceutical Co., Ltd. (JP) 2004-04-07 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-20050049203-A1 Nitrogenous heterocyclic derivative, medicinal composition containing the same, medical use thereof, and intermediate therefor GPR119, NPR3, SLC5A2 SMN1; SMN2 3729/4885HTT 1594/4885STAT3 2981/4885

“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.