SCHEMBL12341280

SCHEMBL12341280

O=C(NO)c1ccc(N2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 10/20 0.81
▸ HDAC4 P56524 6/20 0.81
▸ KCNH2 Q12809 2/20 0.81
▸ HDAC6 Q9UBN7 7/20 0.68
▸ HDAC8 Q9BY41 4/20 0.68
▸ HDAC3 O15379 3/20 0.68
▸ HDAC7 Q8WUI4 3/20 0.68
▸ HDAC2 Q92769 3/20 0.68
▸ HDAC10 Q969S8 3/20 0.68
▸ HDAC11 Q96DB2 3/20 0.68
▸ HDAC9 Q9UKV0 3/20 0.68
▸ HDAC5 Q9UQL6 3/20 0.68
▸ HTR2A P28223 1/20 0.66
▸ HTR2C P28335 1/20 0.66
▸ HTR2B P41595 1/20 0.66
▸ MAPT P10636 2/20 0.64
▸ L3MBTL1 Q9Y468 1/20 0.64
▸ DRD4 P21917 3/20 0.62
▸ KMT2A Q03164 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58

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
SCHEMBL28742702 0.94 HDAC1 (0.81) HDAC1HDAC4KCNH2HDAC6HDAC8
SCHEMBL9407904 0.89 HDAC4 (0.72) HDAC1HDAC4KCNH2HDAC6HDAC8
SCHEMBL28742676 0.86 HDAC1 (0.64) HDAC1HDAC4KCNH2HDAC6HDAC8
SCHEMBL1066467 0.85 HTR2A (0.72) HDAC1HDAC4KCNH2HDAC6HDAC8
Hydrochloric Acid SCHEMBL4653252 0.84 HTR2A (0.71) HDAC1HDAC4KCNH2HDAC6HDAC8
SCHEMBL7459360 0.84 HTR2A (0.71) HDAC1HDAC4KCNH2HDAC6HDAC8
SCHEMBL1482123 0.83 HTR2A (0.69) HDAC1HDAC4HDAC6HDAC8HDAC3
SCHEMBL2744427 0.83 HTR2A (0.69) HDAC1HDAC4HDAC6HDAC8HDAC3
SCHEMBL20394950 0.83 ALDH1A1 (0.75) HDAC1HDAC4KCNH2HDAC6HDAC8
SCHEMBL4653292 0.82 MAPT (0.66) HDAC1HDAC4HDAC6HDAC8HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343988-B2 Inhibitors of histone deacetylase JANSSEN PHARMACEUTICA, N.V (BE) 2013-01-01 — — US disclosed
US-8343988-B2 Inhibitors of histone deacetylase JANSSEN PHARMACEUTICA, N.V (BE) 2013-01-01 — — US disclosed
US-8268833-B2 Inhibitors of histone deacetylase JANSSEN PHARMACEUTICA, N.V. (BE) 2012-09-18 — — US disclosed
US-8268833-B2 Inhibitors of histone deacetylase JANSSEN PHARMACEUTICA, N.V. (BE) 2012-09-18 — — US disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 — — US disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 — — US disclosed
US-7816363-B2 to inhibit proliferative conditions, such as cancer and psoriasis; detecting or identifying a HDAC in a biological sample comprising detecting or measuring the formation of a complex between a labelled compound as defined in claim (I) and a HDAC JANSSEN PHARMACEUTICA, N.V. (BE) 2010-10-19 — — US disclosed
US-7816363-B2 to inhibit proliferative conditions, such as cancer and psoriasis; detecting or identifying a HDAC in a biological sample comprising detecting or measuring the formation of a complex between a labelled compound as defined in claim (I) and a HDAC JANSSEN PHARMACEUTICA, N.V. (BE) 2010-10-19 — — US disclosed
US-20090170881-A1 NEW INHIBITORS OF HISTONE DEACETYLASE ANGIBAUD PATRICK RENE 2009-07-02 — — US disclosed
US-20090170836-A1 NEW INHIBITORS OF HISTONE DEACETYLASE ANGIBAUD PATRICK RENE 2009-07-02 — — US disclosed
US-20090170836-A1 NEW INHIBITORS OF HISTONE DEACETYLASE ANGIBAUD PATRICK RENE 2009-07-02 — — US disclosed
US-20090170881-A1 NEW INHIBITORS OF HISTONE DEACETYLASE ANGIBAUD PATRICK RENE 2009-07-02 — — US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 — — US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 — — 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 (3 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-20080132459-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC4 8/4885KCNH2 4025/4885
US-20090170836-A1 NEW INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC11 HDAC1 1/4885HDAC4 6/4885KCNH2 2741/4885
US-20090170881-A1 NEW INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC11 HDAC1 1/4885HDAC4 6/4885KCNH2 2741/4885

“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.

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