SCHEMBL3383364

SCHEMBL3383364

O=Cc1ccc2ccccc2c1CBr

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.42
PTPN1 P18031 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.41
HSD17B10 Q99714 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
CYP2A6 P11509 1/20 0.39
TSHR P16473 1/20 0.39
GAA P10253 3/20 0.39
KDM4E B2RXH2 2/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38

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
SCHEMBL12426752 0.81 NCEH1 (0.45) ERN1PTPN1MEN1KMT2APOLB
SCHEMBL17222504 0.79 ERN1 (0.40) ERN1PTPN1MEN1KMT2APOLB
SCHEMBL1253157 0.79 GAA (0.49) ERN1PTPN1MEN1KMT2APOLB
SCHEMBL11250039 0.79 L3MBTL1 (0.40) ERN1PTPN1MEN1KMT2APOLB
SCHEMBL9575204 0.79 ERN1 (0.40) ERN1PTPN1MEN1KMT2APOLB
SCHEMBL5676874 0.77 CA1 (0.40) ERN1PTPN1MEN1KMT2APOLB
SCHEMBL6507388 0.76 PTPN1 (0.38) ERN1PTPN1MEN1KMT2APOLB
SCHEMBL628772 0.76 KDM4E (0.45) ERN1PTPN1MEN1KMT2APOLB
SCHEMBL30343616 0.75 POLB (0.50) ERN1PTPN1MEN1KMT2APOLB
SCHEMBL950436 0.75 POLB (0.50) ERN1PTPN1MEN1KMT2APOLB

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
EP-1280764-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2010-11-24 EP disclosed
US-20090181971-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. 2009-07-16 US disclosed
US-7288567-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2007-10-30 US disclosed
EP-1524262-A1 Inhibitors of histone deacetylase Methylgene, Inc. (CA) 2005-04-20 EP 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
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

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-20020115826-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 ERN1 1510/4885PTPN1 2835/4885MEN1 2635/4885
US-20090181971-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 ERN1 1510/4885PTPN1 2835/4885MEN1 2635/4885

“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.