SCHEMBL213469

SCHEMBL213469

Fc1cc(-c2ccnc(Cl)n2)ccc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.43
CTSA P10619 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
PRMT5 O14744 1/20 0.42
AAK1 Q2M2I8 3/20 0.42
KMO O15229 2/20 0.41
GRM2 Q14416 1/20 0.41
CCNT1 O60563 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CDK9 P50750 1/20 0.39
CCNA1 P78396 1/20 0.39
S1PR5 Q9H228 1/20 0.39
SCN9A Q15858 1/20 0.39
XDH P47989 1/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39

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
SCHEMBL8613844 0.81 ERN1 (0.46) ERN1CTSAMRGPRX4PRMT5GRM2
SCHEMBL8615551 0.79 ERN1 (0.49) ERN1CTSAMRGPRX4PRMT5GRM2
SCHEMBL31086460 0.79 PRMT5 (0.53) PRMT5XDH
SCHEMBL31391067 0.79 ALDH1A1 (0.52) AAK1KMOCDK2EGFR
SCHEMBL29254767 0.79 PRMT5 (0.53) PRMT5XDH
SCHEMBL2759526 0.79 AAK1 (0.45) AAK1KMOCCNT1CDK9
SCHEMBL8611382 0.79 ALOX5AP (0.47) ERN1CTSAMRGPRX4PRMT5GRM2
SCHEMBL8616633 0.79 MRGPRX4 (0.48) ERN1CTSAMRGPRX4PRMT5
SCHEMBL6638721 0.76 FEN1 (0.48) ERN1CTSAPRMT5
SCHEMBL20543912 0.76 ERN1 (0.43) ERN1CTSAMRGPRX4PRMT5GRM2

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-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
EP-1735319-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-12-27 EP disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 US disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 ERN1 1533/4885CTSA 505/4885MRGPRX4 4370/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 ERN1 1982/4885CTSA 636/4885MRGPRX4 4112/4885

“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.