SCHEMBL3638432

SCHEMBL3638432

COc1ccc(C(=O)c2ccc(F)cc2)c(O)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.72
HTT P42858 3/20 0.72
LMNA P02545 3/20 0.72
CYP1A2 P05177 3/20 0.72
CYP2C19 P33261 3/20 0.72
ALDH1A1 P00352 3/20 0.72
PGR P06401 2/20 0.72
SLC6A2 P23975 2/20 0.72
MAPK1 P28482 2/20 0.72
CYP2D6 P10635 1/20 0.72
PDE4A P27815 1/20 0.72
HRH1 P35367 1/20 0.72
SLC6A3 Q01959 1/20 0.72
PDE4D Q08499 1/20 0.72
NPC1 O15118 6/20 0.70
RAB9A P51151 6/20 0.70
KMT2A Q03164 5/20 0.63
MAPT P10636 4/20 0.63
CYP3A4 P08684 3/20 0.60
ALOX15 P16050 2/20 0.60

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
SCHEMBL228916 0.90 LMNA (0.81) HPGDHTTLMNACYP1A2CYP2C19
SCHEMBL29415029 0.90 LMNA (0.81) HPGDHTTLMNACYP1A2CYP2C19
SCHEMBL6171166 0.89 HPGD (0.79) HPGDHTTLMNACYP1A2CYP2C19
Mexenone SCHEMBL8017506 0.86 LMNA (0.74) HPGDHTTLMNACYP1A2CYP2C19
Mexenone SCHEMBL39448 0.86 LMNA (0.74) HPGDHTTLMNACYP1A2CYP2C19
Mexenone SCHEMBL29365598 0.86 LMNA (0.74) HPGDHTTLMNACYP1A2CYP2C19
SCHEMBL9571629 0.86 ALDH1A1 (0.79) HPGDHTTLMNACYP1A2CYP2C19
SCHEMBL4456955 0.86 NPC1 (0.59) HPGDHTTLMNACYP1A2CYP2C19
SCHEMBL20157807 0.86 NPC1 (0.59) HPGDHTTLMNACYP1A2CYP2C19
SCHEMBL20157317 0.84 NPC1 (0.58) HPGDHTTLMNACYP1A2CYP2C19

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 7 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
EP-1895959-A1 COMBINATION THERAPY FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS CombinatoRx, Incorporated (US) 2008-03-12 EP disclosed
US-20070110685-A1 Combination therapy for the treatment of immunoinflammatory disorders ZALICUS INC. 2007-05-17 US disclosed
WO-2006138518-A1 COMBINATION THERAPY FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX, INCORPORATED (US) 2006-12-28 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 (2 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-20070110685-A1 Combination therapy for the treatment of immunoinflammatory disorders SERPINC1, SERPINA6, IL36G HPGD 57/4885HTT 1133/4885LMNA 3750/4885
US-20090029976-A1 BENZOFURAN AND BENZOTHIOPHENE-2-CARBOXYLIC ACID AMIDE DERIVATIVES HCAR2, HCAR1, HRH3 HPGD 1791/4885HTT 727/4885LMNA 3075/4885

“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.