SCHEMBL3640653

SCHEMBL3640653

CCOC(=O)c1oc2cc(O)c(Cl)cc2c1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
AHR P35869 1/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
PRNP P04156 1/20 0.48
ALDH1A1 P00352 5/20 0.47
NPSR1 Q6W5P4 5/20 0.47
MAPT P10636 4/20 0.47
HSD17B10 Q99714 3/20 0.47
MAPK1 P28482 2/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 1/20 0.47
LMNA P02545 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
GAA P10253 1/20 0.46
GLO1 Q04760 1/20 0.45
HPGD P15428 2/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL3647204 0.89 ALDH1A1 (0.52) KDM4EAHRMEN1KMT2AALDH1A1
SCHEMBL3646805 0.82 ALDH1A1 (0.64) KDM4EAHRMEN1KMT2APRNP
SCHEMBL3640665 0.81 MAPT (0.53) KDM4EAHRMEN1KMT2AALDH1A1
SCHEMBL8189052 0.81 KDM4E (0.56) KDM4EAHRMEN1KMT2AALDH1A1
SCHEMBL8871762 0.80 KDM4E (0.70) KDM4EAHRKMT2AALDH1A1NPSR1
SCHEMBL11740903 0.78 ALDH1A1 (0.58) KDM4EAHRMEN1KMT2AALDH1A1
SCHEMBL3648813 0.77 BRAF (0.44) KDM4EAHRMEN1KMT2AALDH1A1
SCHEMBL6055548 0.77 ALDH1A1 (0.53) KDM4EMEN1KMT2APRNPALDH1A1
SCHEMBL4681189 0.77 ALDH1A1 (0.73) KDM4EMEN1KMT2AALDH1A1NPSR1
SCHEMBL28047026 0.76 MAPT (0.53) KDM4EAHRMEN1KMT2AALDH1A1

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 KDM4E 793/4885AHR 26/4885MEN1 3929/4885

“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.