SCHEMBL4288540

SCHEMBL4288540

O=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(F)cc4)cc3)CC2)s1

nearest known ligand 0.94

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 19/20 0.94
HDAC2 Q92769 19/20 0.94
HDAC4 P56524 18/20 0.94
HDAC1 Q13547 18/20 0.94
HDAC7 Q8WUI4 18/20 0.94
HDAC10 Q969S8 18/20 0.94
HDAC11 Q96DB2 18/20 0.94
HDAC8 Q9BY41 18/20 0.94
HDAC6 Q9UBN7 18/20 0.94
HDAC9 Q9UKV0 18/20 0.94
HDAC5 Q9UQL6 18/20 0.94
ALDH1A1 P00352 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL4191540 0.97 HDAC1 (1.00) HDAC3HDAC2HDAC4HDAC1HDAC7
SCHEMBL4022511 0.90 HDAC1 (1.00) HDAC3HDAC2HDAC4HDAC1HDAC7
SCHEMBL4293312 0.89 HDAC1 (0.82) HDAC3HDAC2HDAC4HDAC1HDAC7
SCHEMBL4024475 0.86 HDAC1 (0.83) HDAC3HDAC2HDAC4HDAC1HDAC7
SCHEMBL14164268 0.86 HDAC1 (1.00) HDAC3HDAC2HDAC4HDAC1HDAC7
SCHEMBL4176015 0.86 HDAC3 (0.80) HDAC3HDAC2HDAC4HDAC1HDAC7
SCHEMBL4018579 0.85 HDAC1 (1.00) HDAC3HDAC2HDAC4HDAC1HDAC7
SCHEMBL4168387 0.85 HDAC3 (0.78) HDAC3HDAC2HDAC4HDAC1HDAC7
SCHEMBL4183237 0.85 HDAC1 (1.00) HDAC3HDAC2HDAC4HDAC1HDAC7
SCHEMBL4179056 0.84 HDAC3 (0.77) HDAC3HDAC2HDAC4HDAC1HDAC7

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 HDAC3 6/4885HDAC2 5/4885HDAC4 11/4885
US-20050250784-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC10 HDAC3 6/4885HDAC2 5/4885HDAC4 11/4885
US-20090203010-A1 MSMB-gene based diagnosis, staging and prognosis of prostate cancer MAT2B, DNMT3B, SHBG HDAC3 3834/4885HDAC2 3643/4885HDAC4 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.