SCHEMBL209573

SCHEMBL209573

O=C(O)c1ccc(CNc2nccc(-c3ccc(OCCN4CCOCC4)cc3)n2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.73
KDM1A O60341 1/20 0.59
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
ABL1 P00519 2/20 0.49
BCR P11274 2/20 0.49
KMO O15229 2/20 0.49
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
LYN P07948 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
SRC P12931 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49
TUBB8 Q3ZCM7 1/20 0.49
TUBA3E Q6PEY2 1/20 0.49
TUBA1A Q71U36 1/20 0.49

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
SCHEMBL212710 0.91 HDAC1 (0.71) HDAC1KDM1AKDM4EALDH1A1ABL1
SCHEMBL210675 0.85 HDAC1 (1.00) HDAC1JAK2HDAC6
SCHEMBL14918575 0.81 HDAC1 (0.59) HDAC1KDM1AHDAC6
SCHEMBL991354 0.79 ALDH1A1 (0.76) KDM4EALDH1A1GAASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL7887532 0.78 ALDH1A1 (0.74) KDM4EALDH1A1GAASMN1; SMN2NPC1
SCHEMBL13253732 0.77 JAK2 (0.60) HDAC1KDM1AABL1BCRROCK2
SCHEMBL212310 0.76 HDAC1 (1.00) HDAC1JAK2HDAC6
SCHEMBL2862697 0.75 JAK2 (0.77) HDAC1ROCK2ROCK1JAK2JAK3
SCHEMBL8350666 0.75 AURKB (0.78) HDAC1
SCHEMBL14714478 0.74 HRH3 (0.77) KDM4EALDH1A1GAASMN1; SMN2NPC1

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 11 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
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 HDAC1 1/4885KDM1A 43/4885KDM4E 258/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885KDM1A 86/4885KDM4E 337/4885

“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.