SCHEMBL4293312

SCHEMBL4293312

O=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccc(-c4ccncc4)cc3)CC2)s1

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.82
HDAC3 O15379 18/20 0.82
HDAC4 P56524 18/20 0.82
HDAC7 Q8WUI4 18/20 0.82
HDAC2 Q92769 18/20 0.82
HDAC10 Q969S8 18/20 0.82
HDAC11 Q96DB2 18/20 0.82
HDAC8 Q9BY41 18/20 0.82
HDAC6 Q9UBN7 18/20 0.82
HDAC9 Q9UKV0 18/20 0.82
HDAC5 Q9UQL6 18/20 0.82
CYP1A2 P05177 1/20 0.50
CYP2C18 P33260 1/20 0.50
CYP2C19 P33261 1/20 0.50
KCNH2 Q12809 1/20 0.50

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
SCHEMBL4022511 0.90 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4288540 0.89 HDAC3 (0.94) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4191540 0.86 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4024475 0.86 HDAC1 (0.83) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL14164268 0.86 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4018579 0.85 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4183237 0.85 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4292474 0.84 HDAC1 (0.80) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4016941 0.84 HDAC1 (0.80) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL6359106 0.84 HDAC1 (0.77) HDAC1HDAC3HDAC4HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250784-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS CORPORATION 2005-11-10 US claimed
US-20050197336-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS CORPORATION 2005-09-08 US claimed
US-20090203010-A1 MSMB-gene based diagnosis, staging and prognosis of prostate cancer KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2009-08-13 US disclosed
US-20050250784-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS CORPORATION 2005-11-10 US disclosed
US-20050197336-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS CORPORATION 2005-09-08 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-20050197336-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC10 HDAC1 1/4885HDAC3 6/4885HDAC4 11/4885
US-20050250784-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC10 HDAC1 1/4885HDAC3 6/4885HDAC4 11/4885
US-20090203010-A1 MSMB-gene based diagnosis, staging and prognosis of prostate cancer MAT2B, DNMT3B, SHBG HDAC1 3460/4885HDAC3 3834/4885HDAC4 2788/4885

“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.