SCHEMBL2174565

SCHEMBL2174565

Cn1ccc2cccc(OCCO)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 3/20 0.38
HTR1D P28221 2/20 0.38
FBP1 P09467 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
IDO1 P14902 1/20 0.36
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
PDE10A Q9Y233 1/20 0.35
CMA1 P23946 1/20 0.34
POLB P06746 1/20 0.34
MCL1 Q07820 1/20 0.34
CCNE2 O96020 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL2088154 0.84 KDM1A (0.41) HTR1BMEN1KMT2APOLBCDK4
SCHEMBL12251441 0.81 L3MBTL1 (0.41) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL2175343 0.81 TDP1 (0.45) ALDH1A1KDM4ELMNAHTTCMA1
SCHEMBL1092786 0.75 CDK4 (0.45) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL2089418 0.75 SMN1; SMN2 (0.44) MEN1KMT2AALDH1A1KDM4ECMA1
SCHEMBL2174846 0.74 KDM4E (0.47) ALDH1A1KDM4ELMNA
SCHEMBL31505086 0.74 KDM4E (0.47) ALDH1A1KDM4ELMNA
Benzoic Acid SCHEMBL28592605 0.73 MRGPRX4 (0.40) MEN1KMT2AALDH1A1KDM4ECMA1
SCHEMBL689243 0.70 CMA1 (0.47) MEN1KMT2ACMA1CCNE2CDK4
SCHEMBL15325663 0.69 BCHE (0.51) LMNA

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 HTR1B 2375/4885HTR1D 1404/4885FBP1 1/4885

“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.