SCHEMBL210685

SCHEMBL210685

Cn1nnc2cc(NCc3ccc(C(=O)O)cc3)ccc21

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.63
RAB9A P51151 8/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 4/20 0.52
HPGD P15428 4/20 0.52
HSD17B10 Q99714 4/20 0.52
NPC1 O15118 6/20 0.51
MAPT P10636 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPK1 P28482 1/20 0.49
POLB P06746 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL212384 0.81 NPC1 (0.71) RAB9AMEN1KMT2AKDM4EALDH1A1
SCHEMBL211488 0.80 HDAC1 (0.61) RAB9AMEN1KMT2AKDM4ENPC1
SCHEMBL8280031 0.79 RAB9A (0.54) RAB9AKDM4EALDH1A1HSD17B10NPC1
SCHEMBL211023 0.79 RAB9A (0.56) RAB9AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL599138 0.78 HCAR3 (1.00) HCAR3RAB9AMEN1KMT2AHPGD
SCHEMBL212966 0.74 HDAC6 (0.55) RAB9AMEN1KMT2AKDM4EALDH1A1
SCHEMBL21409102 0.74 POLB (0.57) HCAR3RAB9AMEN1KMT2AKDM4E
SCHEMBL5790483 0.74 HSD17B10 (0.44) HCAR3RAB9AMEN1KMT2AKDM4E
SCHEMBL4418236 0.73 CA1 (0.59) KMT2AALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL21624765 0.72 HCAR3 (0.60) HCAR3RAB9AMEN1KMT2AKDM4E

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 12 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

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 HCAR3 1403/4885RAB9A 3036/4885MEN1 2386/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 HCAR3 1396/4885RAB9A 3239/4885MEN1 2075/4885

“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.