SCHEMBL1165286

SCHEMBL1165286

O=C(NO)c1ccc(Cn2cc(-c3ccc(CN4CCOCC4)cc3)nn2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.82
HDAC1 Q13547 6/20 0.82
HDAC3 O15379 3/20 0.82
HDAC2 Q92769 3/20 0.82
HDAC8 Q9BY41 3/20 0.54
HDAC4 P56524 2/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
SNCA P37840 1/20 0.53
NAMPT P43490 1/20 0.52
MEN1 O00255 1/20 0.51
CASP3 P42574 1/20 0.51
KMT2A Q03164 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
NPC1 O15118 1/20 0.51

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
SCHEMBL2127546 0.92 HDAC6 (0.70) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL1165505 0.90 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL2130112 0.85 HDAC1 (0.61) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL3439448 0.85 HDAC3 (0.62) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL24755230 0.83 HDAC6 (0.75) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL1164730 0.82 HDAC6 (0.74) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL1165020 0.82 HDAC1 (0.73) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL1164962 0.82 HDAC6 (0.78) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL1165075 0.80 SNCA (0.80) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL3439457 0.79 HDAC1 (0.55) HDAC6HDAC1HDAC3HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220401418-A1 TREATMENT OF MALARIA USING HISTONE DEACETYLASE (HDAC) INHIBITORS FOUNDATION FOR NEGLECTED DISEASE RESEARCH (IN) 2022-12-22 US disclosed
EP-2451790-A1 HISTONE DEACETYLASE INHIBITORS Anthem Biosciences Private Limited (IN) 2012-05-16 EP disclosed
US-20120101099-A1 HISTONE DEACETYLASE INHIBITORS ANTHEM BIOSCIENCES PRIVATE LIMITED (IN) 2012-04-26 US disclosed
US-20120101099-A1 HISTONE DEACETYLASE INHIBITORS ANTHEM BIOSCIENCES PRIVATE LIMITED (IN) 2012-04-26 US disclosed
US-20120101099-A1 HISTONE DEACETYLASE INHIBITORS ANTHEM BIOSCIENCES PRIVATE LIMITED (IN) 2012-04-26 US disclosed
WO-2011021209-A1 HISTONE DEACETYLASE INHIBITORS PORTSMOUTH TECHNOLOGIES LLC (US) 2011-02-24 WO disclosed
WO-2011021209-A1 HISTONE DEACETYLASE INHIBITORS PORTSMOUTH TECHNOLOGIES LLC (US) 2011-02-24 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-20220401418-A1 TREATMENT OF MALARIA USING HISTONE DEACETYLASE (HDAC) INHIBITORS HDAC5, HDAC4, HDAC3 HDAC6 10/4885HDAC1 4/4885HDAC3 3/4885
US-20120101099-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC11 HDAC6 8/4885HDAC1 1/4885HDAC3 2/4885

“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.