SCHEMBL2175343

SCHEMBL2175343

CC(=O)OCCOc1cccc2ccn(C)c12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.45
THRB P10828 1/20 0.45
MCL1 Q07820 2/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CMA1 P23946 1/20 0.36
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ADORA2B P29275 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC18A3 Q16572 1/20 0.34

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
SCHEMBL14832012 0.82 CMA1 (0.44) ALDH1A1KDM4EHPGDRXFP1CMA1
SCHEMBL2174565 0.81 HTR1B (0.38) MCL1ALDH1A1KDM4ELMNACMA1
SCHEMBL2088154 0.81 KDM1A (0.41) TDP1L3MBTL1
SCHEMBL27815511 0.79 KDM4E (0.43) TDP1ALDH1A1KDM4EHPGDLMNA
SCHEMBL2174846 0.77 KDM4E (0.47) ALDH1A1KDM4EHPGDLMNASMN1; SMN2
SCHEMBL31505086 0.77 KDM4E (0.47) ALDH1A1KDM4EHPGDLMNASMN1; SMN2
SCHEMBL12251441 0.76 L3MBTL1 (0.41) ALDH1A1KDM4ELMNANPSR1L3MBTL1
SCHEMBL2089418 0.75 SMN1; SMN2 (0.44) TDP1ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL10030191 0.75 TDP1 (0.55) TDP1THRBALDH1A1KDM4EHPGD
SCHEMBL1902160 0.75 KDM4E (0.64) TDP1MCL1ALDH1A1KDM4EHPGD

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
US-7973051-B2 Aminothiazoles as FBPase inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2011-07-05 US disclosed
EP-2227468-A1 AMINOTHIAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-15 EP disclosed
US-20090143448-A1 NEW AMINOTHIAZOLES AS FBPASE INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 US disclosed
WO-2009068467-A1 AMINOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 WO 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-20090143448-A1 NEW AMINOTHIAZOLES AS FBPASE INHIBITORS FOR DIABETES FBP1, SLC5A1, DPP4 TDP1 1439/4885THRB 892/4885MCL1 4768/4885

“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.