Sugi Predict

Sugi Predict / Compounds / SCHEMBL3581838

SCHEMBL3581838

SCHEMBL3581838

Nc1ccc2nn(Cc3ccccc3C(=O)Nc3ccccc3N)cc2c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 9/20 0.60
▸ HDAC1 Q13547 9/20 0.41
▸ HDAC3 O15379 7/20 0.41
▸ HDAC4 P56524 2/20 0.41
▸ HDAC7 Q8WUI4 2/20 0.41
▸ HDAC10 Q969S8 2/20 0.41
▸ HDAC11 Q96DB2 2/20 0.41
▸ HDAC8 Q9BY41 2/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41
▸ HDAC9 Q9UKV0 2/20 0.41
▸ HDAC5 Q9UQL6 2/20 0.41
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ OPRL1 P41146 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ FLT1 P17948 1/20 0.37
▸ KDR P35968 1/20 0.37

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
SCHEMBL3551291 0.83 HDAC2 (0.63) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL16083166 0.77 HDAC2 (0.71) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL16083163 0.75 HDAC2 (1.00) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL3558649 0.73 HDAC2 (0.61) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL8231187 0.73 HDAC2 (0.60) HDAC2HDAC1HDAC3MAPK1
SCHEMBL16083086 0.73 HDAC2 (0.65) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL3551358 0.72 HDAC2 (0.59) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL16083175 0.72 HDAC2 (0.64) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL3551917 0.72 HDAC2 (0.59) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL3555920 0.71 HDAC2 (0.58) HDAC2HDAC1

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-7741494-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-06-22 — — US disclosed
US-20090111996-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2009-04-30 — — US disclosed
US-20090105485-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2009-04-23 — — US disclosed
US-20080119658-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2008-05-22 — — US disclosed
US-20080119648-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2008-05-22 — — US disclosed
US-20080114037-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2008-05-15 — — US disclosed
US-20080108829-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2008-05-08 — — 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 (6 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-20080119658-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC5 HDAC2 4/4885HDAC1 1/4885HDAC3 2/4885
US-20080108829-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC5 HDAC2 4/4885HDAC1 1/4885HDAC3 2/4885
US-20090105485-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC5 HDAC2 4/4885HDAC1 1/4885HDAC3 2/4885
US-20090111996-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC5 HDAC2 4/4885HDAC1 1/4885HDAC3 2/4885
US-20080114037-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC5 HDAC2 4/4885HDAC1 1/4885HDAC3 2/4885
US-20080119648-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC5 HDAC2 4/4885HDAC1 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.