Sugi Predict

Sugi Predict / Compounds / SCHEMBL2438671

SCHEMBL2438671

SCHEMBL2438671

Cc1ccc(-n2cc(N)c(NC(=O)c3ccc(CN(Cc4cccnc4)C(=O)O)cc3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 4/20 0.54
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HDAC2 Q92769 3/20 0.43
▸ HDAC3 O15379 2/20 0.43
▸ HDAC4 P56524 2/20 0.43
▸ HDAC7 Q8WUI4 2/20 0.43
▸ HDAC10 Q969S8 2/20 0.43
▸ HDAC11 Q96DB2 2/20 0.43
▸ HDAC8 Q9BY41 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ HDAC9 Q9UKV0 2/20 0.43
▸ HDAC5 Q9UQL6 2/20 0.43
▸ NCOR2 Q9Y618 1/20 0.43
▸ ALKBH5 Q6P6C2 1/20 0.43
▸ NAMPT P43490 2/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HTT P42858 1/20 0.42

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
SCHEMBL2435576 0.93 HDAC1 (0.60) HDAC1ALDH1A1HDAC2HDAC3HDAC4
SCHEMBL2438648 0.92 HDAC1 (0.56) HDAC1ALDH1A1LMNASMN1; SMN2HDAC2
SCHEMBL2435359 0.91 HDAC1 (0.54) HDAC1ALDH1A1LMNASMN1; SMN2HDAC2
SCHEMBL2434545 0.91 HDAC1 (0.54) HDAC1ALDH1A1SMN1; SMN2HDAC2HDAC3
SCHEMBL2436494 0.91 HDAC1 (0.52) HDAC1ALDH1A1HDAC2HDAC3HDAC4
SCHEMBL2435416 0.91 HDAC1 (0.54) HDAC1ALDH1A1LMNAHDAC2HDAC3
SCHEMBL2440097 0.88 HDAC1 (0.56) HDAC1ALDH1A1LMNAHDAC2HDAC3
SCHEMBL2435563 0.87 HDAC1 (0.56) HDAC1ALDH1A1SMN1; SMN2HDAC2HDAC3
SCHEMBL2436653 0.86 HDAC1 (0.53) HDAC1ALDH1A1HDAC2HDAC3HDAC4
SCHEMBL2435440 0.86 HDAC1 (0.55) HDAC1ALDH1A1LMNAHDAC2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1945617-B1 HISTONE DEACETYLASE INHIBITORS WITH ARYL-PYRAZOLYL MOTIFS MERCK SHARP & DOHME (US) 2012-12-26 — — EP claimed
US-8026260-B2 Histone deacetylase inhibitors with aryl-pyrazolyl-motifs MERCK SHARP & DOHME CORP. (US) 2011-09-27 — — US claimed
US-20090291965-A1 Histone Deacetylase Inhibitors With Aryl-Pyrazolyl-Motifs MERCK SHARP & DOHME LLC 2009-11-26 — — US claimed
EP-1945617-B1 HISTONE DEACETYLASE INHIBITORS WITH ARYL-PYRAZOLYL MOTIFS MERCK SHARP & DOHME (US) 2012-12-26 — — EP disclosed
US-8026260-B2 Histone deacetylase inhibitors with aryl-pyrazolyl-motifs MERCK SHARP & DOHME CORP. (US) 2011-09-27 — — US disclosed
US-20090291965-A1 Histone Deacetylase Inhibitors With Aryl-Pyrazolyl-Motifs MERCK SHARP & DOHME LLC 2009-11-26 — — US disclosed
EP-1945617-A2 HISTONE DEACETYLASE INHIBITORS WITH ARYL-PYRAZOLYL MOTIFS Merck & Co., Inc. (US) 2008-07-23 — — EP disclosed
WO-2007055941-A2 HISTONE DEACETYLASE INHIBITORS WITH ARYL-PYRAZOLYL MOTIFS MERCK & CO., INC. (US) 2007-05-18 — — 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 (1 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-20090291965-A1 Histone Deacetylase Inhibitors With Aryl-Pyrazolyl-Motifs HDAC1, HDAC3, HDAC5 HDAC1 1/4885ALDH1A1 540/4885LMNA 2232/4885

“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.