Sugi Predict

Sugi Predict / Compounds / SCHEMBL4292278

SCHEMBL4292278

SCHEMBL4292278

O=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(CN5CCCC5)c4)s3)CC2)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 15/20 0.55
▸ HDAC3 O15379 14/20 0.55
▸ HDAC4 P56524 14/20 0.55
▸ HDAC1 Q13547 14/20 0.55
▸ HDAC7 Q8WUI4 14/20 0.55
▸ HDAC2 Q92769 14/20 0.55
▸ HDAC10 Q969S8 14/20 0.55
▸ HDAC11 Q96DB2 14/20 0.55
▸ HDAC8 Q9BY41 14/20 0.55
▸ HDAC9 Q9UKV0 14/20 0.55
▸ HDAC5 Q9UQL6 14/20 0.55
▸ CAPN1 P07384 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ BRAF P15056 1/20 0.39

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
SCHEMBL4016976 0.80 HDAC2 (0.55) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL6357768 0.80 HDAC1 (0.66) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL4288115 0.79 HDAC2 (0.53) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL4289926 0.75 HDAC3 (0.69) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL4175980 0.74 HDAC2 (0.58) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL4198413 0.74 HDAC4 (0.71) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL5353081 0.74 HDAC2 (0.57) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL4292254 0.74 HDAC1 (0.61) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL5340670 0.74 HDAC3 (0.64) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL4290875 0.73 HDAC3 (0.67) HDAC6HDAC3HDAC4HDAC1HDAC7

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 HDAC6 10/4885HDAC3 6/4885HDAC4 11/4885
US-20050250784-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC10 HDAC6 10/4885HDAC3 6/4885HDAC4 11/4885
US-20090203010-A1 MSMB-gene based diagnosis, staging and prognosis of prostate cancer MAT2B, DNMT3B, SHBG HDAC6 4661/4885HDAC3 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.