SCHEMBL10176030

SCHEMBL10176030

O=C1CCCC(C(=O)NP)N1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 12/20 0.42
HDAC11 Q96DB2 12/20 0.42
HDAC6 Q9UBN7 12/20 0.42
HDAC1 Q13547 11/20 0.42
HDAC10 Q969S8 11/20 0.42
HDAC8 Q9BY41 11/20 0.42
HDAC2 Q92769 10/20 0.42
ABL1 P00519 1/20 0.41
NCOR2 Q9Y618 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.38
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37

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
SCHEMBL10820749 0.89 SMN1; SMN2 (0.48) HDAC3HDAC11HDAC6HDAC1HDAC10
SCHEMBL85933 0.81 MMP9 (0.43) HDAC3HDAC11HDAC6HDAC1HDAC10
SCHEMBL10705064 0.81 HDAC3 (0.42) HDAC3HDAC11HDAC6HDAC1HDAC10
SCHEMBL15347243 0.78 HDAC3 (0.38) HDAC3HDAC11HDAC6HDAC1HDAC10
SCHEMBL3625069 0.76 CAD (0.43) HDAC3HDAC11HDAC6HDAC1HDAC10
SCHEMBL2344195 0.76 CAD (0.43) HDAC3HDAC11HDAC6HDAC1HDAC10
SCHEMBL630497 0.76 CAD (0.43) HDAC3HDAC11HDAC6HDAC1HDAC10
SCHEMBL2143334 0.75 HDAC3 (0.36) HDAC3HDAC11HDAC6HDAC1HDAC10
SCHEMBL14374129 0.75 GLI1 (0.44) HDAC3HDAC11HDAC6HDAC1HDAC10
SCHEMBL8426408 0.75 HDAC3 (0.36) HDAC3HDAC11HDAC6HDAC1HDAC10

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-8227498-B2 imidazole derivatives; Alzheimer's Disease, Down syndrome and Huntington's Disease; hypotensive agents; sleeping and eating disorders, anxiolytic agents, antidepressants, antiepileptic agents; drug abuse/withdrawl; 2-cyano(4-ethylphenyl)-3-(3-(5-methyl-1H-imidazol-1-yl)propyl)guanidine PROBIODRUG AG (DE) 2012-07-24 US disclosed
US-8202897-B2 pharmaceutically acceptable salt, solvate or polymorph for disease therapy PROBIODRUG AG (DE) 2012-06-19 US disclosed
US-20110224259-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-09-15 US disclosed
US-20110092501-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-04-21 US disclosed
US-7732162-B2 Inhibitors of glutaminyl cyclase for treating neurodegenerative diseases PROBIODRUG AG (DE) 2010-06-08 US disclosed
US-20100125086-A1 USE OF ISOQC INHIBITORS PROBIODRUG AG (DE) 2010-05-20 US disclosed
US-20080286810-A1 Anticancer agents; therapy for infections; administering glutaminyl cyclase inhibitor; Alzheimer's disease; Down syndrome; controlling fertility; schizophrenia; skin disorders; drug screening PROBIODRUG AG (DE) 2008-11-20 US disclosed
US-20080267912-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-10-30 US disclosed
US-20080262065-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASES PROBIODRUG AG (DE) 2008-10-23 US disclosed
US-20080207715-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2008-08-28 US disclosed
US-20080200567-A1 IN VIVO SCREENING MODELS FOR TREATMENT OF ALZHEIMER'S DISEASE AND OTHER QPCT-RELATED DISORDERS PROBIODRUG AG (DE) 2008-08-21 US 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 (7 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-20110224259-A1 NOVEL INHIBITORS QPCT, GLUL, GLS HDAC3 1866/4885HDAC11 2762/4885HDAC6 2588/4885
US-20110092501-A1 NOVEL INHIBITORS GLUL, QPCT, GLS HDAC3 2015/4885HDAC11 2244/4885HDAC6 2782/4885
US-20080200567-A1 IN VIVO SCREENING MODELS FOR TREATMENT OF ALZHEIMER'S DISEASE AND OTHER QPCT-RELATED DISORDERS QPCT, PCYT1A, PSEN2 HDAC3 3473/4885HDAC11 2096/4885HDAC6 800/4885
US-20080262065-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASES GLS, GLS2, GLUL HDAC3 3307/4885HDAC11 2532/4885HDAC6 2576/4885
US-20080267912-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE GLS, GLS2, QPCT HDAC3 2627/4885HDAC11 2135/4885HDAC6 2281/4885
US-20100125086-A1 USE OF ISOQC INHIBITORS QPCT, QPCTL, GGCT HDAC3 3970/4885HDAC11 4062/4885HDAC6 3112/4885
US-20080207715-A1 Novel Inhibitors of Glutaminyl Cyclase GLS, GLS2, GLUL HDAC3 417/4885HDAC11 1638/4885HDAC6 1502/4885

“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.