SCHEMBL3383358

SCHEMBL3383358

O=C(c1ccc2ccccc2c1CBr)c1ccc2ccccc2c1CBr

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.49
WDR5 P61964 1/20 0.47
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 3/20 0.46
HSD17B10 Q99714 2/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46
LDHA P00338 1/20 0.46
CDC25B P30305 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CFTR P13569 1/20 0.43
MAPT P10636 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
CYP1A1 P04798 1/20 0.41

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
SCHEMBL6858137 0.86 PTPN1 (0.46) PTPN1WDR5KDM4EALDH1A1GAA
SCHEMBL31069647 0.82 HDAC3 (0.48) PTPN1KDM4EALDH1A1HPGDMAPT
SCHEMBL22261540 0.79 CDC25B (0.57) KDM4EALDH1A1GAAHSD17B10GLA
SCHEMBL11250030 0.79 WDR5 (0.44) WDR5KDM4EALDH1A1GAAHSD17B10
SCHEMBL9575201 0.77 CDC25B (0.45) WDR5KDM4EALDH1A1GAAHSD17B10
SCHEMBL18070734 0.77 PLK1 (0.45) KDM4EALDH1A1GAAHSD17B10GLA
SCHEMBL29084268 0.76 WDR5 (0.54) PTPN1WDR5KDM4EALDH1A1GAA
SCHEMBL8678084 0.73 WDR5 (0.59) WDR5KDM4EALDH1A1GAAHSD17B10
SCHEMBL235416 0.72 ALDH1A1 (0.46) KDM4EALDH1A1GAAHSD17B10GLA
SCHEMBL8988212 0.72 ALDH1A1 (0.46) PTPN1KDM4EALDH1A1GAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1280764-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2010-11-24 EP disclosed
EP-1583742-B1 CB 1 RECEPTOUR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2009-12-02 EP disclosed
US-7579369-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-25 US disclosed
US-20090181971-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. 2009-07-16 US disclosed
US-7294644-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2007-11-13 US disclosed
US-7288567-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2007-10-30 US disclosed
US-20070238754-A1 Novel CB 1 receptor inverse agonists MAYWEG ALEXANDER 2007-10-11 US disclosed
EP-1583742-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP disclosed
EP-1524262-A1 Inhibitors of histone deacetylase Methylgene, Inc. (CA) 2005-04-20 EP disclosed
US-20040167129-A1 Novel CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. 2004-08-26 US disclosed
WO-2004060870-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 WO disclosed
EP-1280764-A2 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2003-02-05 EP disclosed
US-20020115826-A1 Inhibitors of histone deacetylase 92229129 QUEBEC INC. (CA) 2002-08-22 US disclosed
WO-2001070675-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2001-09-27 WO disclosed
EP-0177463-B1 DERIVATIVES OF 2-AMINO-THIAZOLE HAVING AN ACID SECRETION INHIBITING ACTIVITY Medosan Industrie Biochimiche Riunite S.p.A. (IT) 1990-12-12 EP disclosed
US-4705873-A Derivatives of 2-amino-thiazole having an acid secretion inhibiting activity MEDOSAN INDUSTRIE BIOCHIMICHE RIUNITE S.P.A. (IT) 1987-11-10 US disclosed
US-4652575-A 2-(ethylene-thio methyl furanyl)amino thiazole derivatives having acid secretion inhibiting activity MEDOSAN INDUSTRIE BIOCHIMICHE RIUNITE S.P.A. (IT) 1987-03-24 US disclosed
EP-0177463-A2 Derivatives of 2-amino-thiazole having an acid secretion inhibiting activity Medosan Industrie Biochimiche Riunite S.p.A. (IT) 1986-04-09 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 (4 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-20020115826-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 PTPN1 2835/4885WDR5 506/4885KDM4E 123/4885
US-20040167129-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, ARRB1 PTPN1 991/4885WDR5 3629/4885KDM4E 1978/4885
US-20070238754-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, GPR139 PTPN1 946/4885WDR5 3370/4885KDM4E 1961/4885
US-20090181971-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 PTPN1 2835/4885WDR5 506/4885KDM4E 123/4885

“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.