SCHEMBL210359

SCHEMBL210359

COc1ccc(NCc2ccc(C(=O)O)cc2)cc1OCCN1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
GAA P10253 2/20 0.52
HSD17B10 Q99714 1/20 0.52
SLC5A7 Q9GZV3 1/20 0.52
AURKB Q96GD4 2/20 0.49
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
MCHR1 Q99705 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
ALDH1A1 P00352 1/20 0.46
QPCT Q16769 1/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL3930808 0.84 KDM4E (0.61) KDM4ESMN1; SMN2GAASLC5A7CYP2D6
SCHEMBL210211 0.84 HDAC1 (0.70)
SCHEMBL23195558 0.80 KDM4E (0.61) KDM4ESMN1; SMN2GAASLC5A7CYP2D6
SCHEMBL1064897 0.80 NR1H4 (0.67) KDM4ESMN1; SMN2GAATDP1KMT2A
SCHEMBL2424154 0.80 MAPK10 (0.49) KDM4ESMN1; SMN2SLC5A7CYP2D6CYP2C9
SCHEMBL3930162 0.79 SMN1; SMN2 (0.65) KDM4ESMN1; SMN2GAASLC5A7CYP2D6
SCHEMBL6926093 0.78 MCHR1 (0.78) KDM4ESMN1; SMN2GAAHSD17B10AURKB
SCHEMBL7010009 0.77 HTR2C (0.49) SLC5A7CYP2D6TSHRHTR2CHTR2B
SCHEMBL13803105 0.76 SYK (0.55) KDM4ETDP1KMT2ALMNATSHR
SCHEMBL5494919 0.75 KDM4E (0.66) KDM4ESMN1; SMN2CYP2D6CYP2C9TDP1

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 13 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-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-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
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
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 KDM4E 258/4885SMN1; SMN2 3557/4885GAA 152/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 KDM4E 337/4885SMN1; SMN2 2705/4885GAA 144/4885

“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.