SCHEMBL7369355

SCHEMBL7369355

COc1cc(C(=O)CBr)cc(C#N)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
ALDH1A1 P00352 5/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
KDM4E B2RXH2 2/20 0.44
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
GAA P10253 1/20 0.42
GSK3B P49841 3/20 0.41
TSHR P16473 1/20 0.41
APOBEC3A P31941 1/20 0.41
HTT P42858 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
CASP1 P29466 1/20 0.40

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
SCHEMBL503143 0.84 MEN1 (0.58) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL7368999 0.81 LMNA (0.53) HPGDALDH1A1PDE4APDE4BPDE4C
SCHEMBL16836207 0.81 GSK3B (0.50) ALDH1A1KMT2AMEN1GSK3BTSHR
SCHEMBL30622639 0.81 ALDH1A1 (0.51) HPGDALDH1A1KDM4EGSK3BTSHR
SCHEMBL1557653 0.81 ALDH1A1 (0.51) HPGDALDH1A1KDM4EGSK3BTSHR
SCHEMBL9499120 0.80 TSHR (0.48) HPGDALDH1A1KMT2AMEN1KDM4E
SCHEMBL8726199 0.79 HPGD (0.48) HPGDALDH1A1KMT2AMEN1PDE4A
SCHEMBL1205400 0.78 TSHR (0.66) HPGDALDH1A1KMT2AMEN1KDM4E
SCHEMBL1188279 0.77 ALDH1A1 (0.60) HPGDALDH1A1KMT2AMEN1KDM4E
SCHEMBL6440815 0.76 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1KDM4EPDE4A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070142399-A1 Dual function drugs and uses thereof PSYCHIATRIC GENOMICS, INC. (US) 2007-06-21 US disclosed
US-20070142399-A1 Dual function drugs and uses thereof PSYCHIATRIC GENOMICS, INC. (US) 2007-06-21 US disclosed
US-5705703-A ENZYME INHIBITORS OF TRANSFERASES HOFFMANN-LA ROCHE INC. (US) 1998-01-06 US disclosed
US-5633371-A ENZYME INHIBITORS; TREATMENT OF DEPRESSION AND PARKINSON*S DISEASE HOFFMANN-LA ROCHE INC. (US) 1997-05-27 US disclosed
US-5476875-A Catechol derivatives HOFFMAN-LA ROCHE INC. (US) 1995-12-19 US disclosed
US-5389653-A Inhibitors of the enzyme catechol-O-methyltransferase; useful as co-medication in treatment of Parkinson's disease HOFFMAN-LA ROCHE INC. (US) 1995-02-14 US disclosed
US-5236952-A Inhibit the enzyme catechol-O-methyltransferase; for treatment of Parkinson's disease administered with L-dopa HOFFMANN-LA ROCHE INC. (US) 1993-08-17 US disclosed
EP-0237929-B1 3,5-DISUBSTITUTED PYROCATECHOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1993-06-02 EP disclosed
EP-0237929-A1 3,5-Disubstituted pyrocatechol derivatives F. HOFFMANN-LA ROCHE AG (CH) 1987-09-23 EP 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-20070142399-A1 Dual function drugs and uses thereof COMT, DRD2, SLC6A3 HPGD 548/4885ALDH1A1 409/4885KMT2A 1231/4885

“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.