SCHEMBL3647204

SCHEMBL3647204

CCOC(=O)c1oc2cc(O)c(Cl)cc2c1-c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
MAPT P10636 6/20 0.52
NPSR1 Q6W5P4 3/20 0.52
HSD17B10 Q99714 3/20 0.52
MAPK1 P28482 2/20 0.52
LMNA P02545 1/20 0.52
KDM4E B2RXH2 6/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.51
GLO1 Q04760 1/20 0.46
USP2 O75604 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
BRAF P15056 1/20 0.43
EIF2AK3 Q9NZJ5 1/20 0.43
CELA1 Q9UNI1 1/20 0.42

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
SCHEMBL3640653 0.89 KDM4E (0.49) ALDH1A1MAPTNPSR1HSD17B10MAPK1
SCHEMBL3647274 0.83 ALDH1A1 (0.59) ALDH1A1MAPTNPSR1HSD17B10MAPK1
SCHEMBL2947399 0.82 ALDH1A1 (0.73) ALDH1A1MAPTNPSR1HSD17B10MAPK1
SCHEMBL3640665 0.80 MAPT (0.53) ALDH1A1MAPTNPSR1HSD17B10MAPK1
SCHEMBL12939236 0.76 ALDH1A1 (0.62) ALDH1A1MAPTNPSR1HSD17B10MAPK1
SCHEMBL3648813 0.75 BRAF (0.44) ALDH1A1MAPTNPSR1HSD17B10MAPK1
SCHEMBL28047026 0.74 MAPT (0.53) ALDH1A1MAPTHSD17B10KDM4EMEN1
SCHEMBL8195421 0.73 ALOX5 (0.53) ALDH1A1MAPTNPSR1HSD17B10MAPK1
SCHEMBL2949056 0.73 ALDH1A1 (0.59) ALDH1A1MAPTNPSR1HSD17B10MAPK1
SCHEMBL11698424 0.72 KDM4E (0.47) ALDH1A1MAPTNPSR1HSD17B10MAPK1

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
EP-2183237-A1 BENZOFURAN- AND BENZO[B]THIOPHENE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AND USE THEREOF AS HISTAMINE 3 RECEPTOR MODULATORS F. Hoffmann-Roche AG (CH) 2010-05-12 EP disclosed
US-7534788-B2 Benzofuran and benzothiophene-2-carboxylic acid amide derivatives HOFFMANN-LA ROCHE INC. (US) 2009-05-19 US disclosed
WO-2009013195-A1 BENZOFURAN- AND BENZO[B]THIOPHENE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AND USE THEREOF AS HISTAMINE 3 RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 WO disclosed
US-20090029976-A1 BENZOFURAN AND BENZOTHIOPHENE-2-CARBOXYLIC ACID AMIDE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-01-29 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-20090029976-A1 BENZOFURAN AND BENZOTHIOPHENE-2-CARBOXYLIC ACID AMIDE DERIVATIVES HCAR2, HCAR1, HRH3 ALDH1A1 180/4885MAPT 1665/4885NPSR1 59/4885

“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.