SCHEMBL4932422

SCHEMBL4932422

COC(=O)c1ccc(CNCCc2c[nH]c3ccccc23)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.73
HDAC3 O15379 1/20 0.62
HDAC4 P56524 1/20 0.62
KCNH2 Q12809 1/20 0.62
HDAC1 Q13547 1/20 0.62
HDAC7 Q8WUI4 1/20 0.62
HDAC2 Q92769 1/20 0.62
HDAC10 Q969S8 1/20 0.62
HDAC11 Q96DB2 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
HDAC9 Q9UKV0 1/20 0.62
HDAC5 Q9UQL6 1/20 0.62
MC5R P33032 2/20 0.60
MC3R P41968 2/20 0.60
MC1R Q01726 2/20 0.60
CDK2 P24941 1/20 0.60
GPR84 Q9NQS5 1/20 0.59
NPC1 O15118 1/20 0.57
POLB P06746 1/20 0.57

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
SCHEMBL8998901 0.85 MAPT (0.64) KMT2AGPR84POLBMEN1LMNA
SCHEMBL23745542 0.83 HTR2A (0.77) KMT2AMC5RMC3RMC1RNPC1
SCHEMBL2884867 0.83 GPR84 (0.74) KMT2ACDK2GPR84NPC1POLB
Hydrochloric Acid SCHEMBL23721903 0.82 HTR2A (0.76) KMT2AMC5RMC3RMC1RNPC1
SCHEMBL211881 0.81 HDAC1 (0.77) KMT2AHDAC3HDAC4KCNH2HDAC1
SCHEMBL29855629 0.81 HDAC1 (0.77) KMT2AHDAC3HDAC4KCNH2HDAC1
SCHEMBL211880 0.81 HDAC1 (0.77) KMT2AHDAC3HDAC4KCNH2HDAC1
SCHEMBL18088393 0.81 MC5R (0.71) KMT2AHDAC3HDAC4KCNH2HDAC1
SCHEMBL830201 0.81 MC5R (0.79) KMT2AHDAC3HDAC4KCNH2HDAC1
SCHEMBL13949803 0.81 HDAC1 (0.70) KMT2AHDAC3HDAC4KCNH2HDAC1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10227295-B2 Selective histone deactylase 6 inhibitors H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2019-03-12 US disclosed
US-9956192-B2 Selective histone deactylase 6 inhibitors H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2018-05-01 US disclosed
US-20170369428-A1 SELECTIVE HISTONE DEACTYLASE 6 INHIBITORS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2017-12-28 US disclosed
US-9751832-B2 Selective histone deactylase 6 inhibitors H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-09-05 US disclosed
US-20170035710-A1 SELECTIVE HISTONE DEACTYLASE 6 INHIBITORS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2017-02-09 US disclosed
US-9409858-B2 Selective histone deactylase 6 inhibitors H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2016-08-09 US disclosed
US-20160185716-A1 SELECTIVE HISTONE DEACTYLASE 6 INHIBITORS BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2016-06-30 US disclosed
US-20150056213-A1 SELECTIVE HISTONE DEACTYLASE 6 INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-26 US disclosed
WO-2015017546-A1 SELECTIVE HISTONE DEACTYLASE 6 INHIBITORS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2015-02-05 WO disclosed
EP-2822926-A1 SELECTIVE HISTONE DEACTYLASE 6 INHIBITORS H. Lee Moffitt Cancer Center And Research Institute, Inc. (US) 2015-01-14 EP disclosed
WO-2013134467-A1 SELECTIVE HISTONE DEACTYLASE 6 INHIBITORS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2013-09-12 WO disclosed
US-20080070954-A1 Acylurea Connected And Sulfonylurea Connected Hydroxamates S*BIO PTE LTD. (SG) 2008-03-20 US disclosed
US-20080070954-A1 Acylurea Connected And Sulfonylurea Connected Hydroxamates S*BIO PTE LTD. (SG) 2008-03-20 US disclosed
US-20080070954-A1 Acylurea Connected And Sulfonylurea Connected Hydroxamates S*BIO PTE LTD. (SG) 2008-03-20 US disclosed
EP-1685094-A4 ACYLUREA CONNECTED AND SULFONYLUREA CONNECTED HYDROXAMATES S BIO PTE LTD (SG) 2007-08-22 EP disclosed
EP-1685094-A1 ACYLUREA CONNECTED AND SULFONYLUREA CONNECTED HYDROXAMATES S*Bio Pte Ltd (SG) 2006-08-02 EP disclosed
WO-2005040101-A1 ACYLUREA CONNECTED AND SULFONYLUREA CONNECTED HYDROXAMATES S*BIO PTE LTD (SG) 2005-05-06 WO disclosed
WO-2005040101-A1 ACYLUREA CONNECTED AND SULFONYLUREA CONNECTED HYDROXAMATES S*BIO PTE LTD (SG) 2005-05-06 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 (6 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-20080070954-A1 Acylurea Connected And Sulfonylurea Connected Hydroxamates HDAC1, HDAC3, HDAC4 KMT2A 105/4885HDAC3 2/4885HDAC4 3/4885
US-20160185716-A1 SELECTIVE HISTONE DEACTYLASE 6 INHIBITORS HDAC1, HDAC6, HDAC2 KMT2A 53/4885HDAC3 9/4885HDAC4 10/4885
US-20150056213-A1 SELECTIVE HISTONE DEACTYLASE 6 INHIBITORS HDAC1, HDAC5, HDAC11 KMT2A 44/4885HDAC3 9/4885HDAC4 8/4885
US-20170035710-A1 SELECTIVE HISTONE DEACTYLASE 6 INHIBITORS HDAC1, HDAC5, HDAC11 KMT2A 44/4885HDAC3 9/4885HDAC4 8/4885
US-20170369428-A1 SELECTIVE HISTONE DEACTYLASE 6 INHIBITORS HDAC1, HDAC5, HDAC11 KMT2A 48/4885HDAC3 9/4885HDAC4 8/4885
US-10227295-B2 Selective histone deactylase 6 inhibitors HDAC1, HDAC5, HDAC11 KMT2A 48/4885HDAC3 9/4885HDAC4 8/4885

“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.