Sugi Predict

Sugi Predict / Compounds / SCHEMBL10036755

SCHEMBL10036755

SCHEMBL10036755

CNC(=O)/C=C/c1ccc(CNCCc2c(C)[nH]c3ccccc23)cc1

nearest known ligand 0.86

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 20/20 0.86
▸ HDAC2 Q92769 15/20 0.86
▸ HDAC3 O15379 15/20 0.86
▸ NCOR2 Q9Y618 12/20 0.86
▸ HDAC8 Q9BY41 4/20 0.86
▸ HDAC6 Q9UBN7 4/20 0.86
▸ HDAC4 P56524 3/20 0.86
▸ HDAC7 Q8WUI4 2/20 0.86
▸ HDAC10 Q969S8 2/20 0.86
▸ HDAC11 Q96DB2 2/20 0.86
▸ HDAC9 Q9UKV0 2/20 0.86
▸ HDAC5 Q9UQL6 2/20 0.86
▸ TET3 O43151 1/20 0.86
▸ BRD4 O60885 1/20 0.86
▸ FOXO1 Q12778 1/20 0.86
▸ TET2 Q6N021 1/20 0.86
▸ PIK3C3 Q8NEB9 1/20 0.86
▸ TET1 Q8NFU7 1/20 0.86
▸ KCNH2 Q12809 2/20 0.68

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
Panobinostat SCHEMBL22773814 0.93 HDAC1 (1.00) HDAC1HDAC2HDAC3NCOR2HDAC8
Panobinostat SCHEMBL164801 0.93 HDAC1 (1.00) HDAC1HDAC2HDAC3NCOR2HDAC8
Panobinostat SCHEMBL183197 0.93 HDAC1 (1.00) HDAC1HDAC2HDAC3NCOR2HDAC8
Panobinostat SCHEMBL436875 0.92 HDAC1 (0.98) HDAC1HDAC2HDAC3NCOR2HDAC8
Panobinostat SCHEMBL20165843 0.92 HDAC1 (0.98) HDAC1HDAC2HDAC3NCOR2HDAC8
SCHEMBL31087946 0.90 HDAC1 (0.83) HDAC1HDAC2HDAC3NCOR2HDAC8
SCHEMBL30255503 0.90 HDAC1 (0.83) HDAC1HDAC2HDAC3NCOR2HDAC8
SCHEMBL4349156 0.90 HDAC1 (0.83) HDAC1HDAC2HDAC3NCOR2HDAC8
SCHEMBL4349158 0.90 HDAC1 (0.83) HDAC1HDAC2HDAC3NCOR2HDAC8
SCHEMBL21710783 0.89 HDAC1 (0.82) HDAC1HDAC2HDAC3NCOR2HDAC8

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-8110550-B2 HDAC inhibitors and hormone targeted drugs for the treatment of cancer UNIVERSITY OF MARYLAND, BALTIMORE (US) 2012-02-07 — — US disclosed
US-20100137398-A1 USE OF HDAC INHIBITORS FOR THE TREATMENT OF GASTROINTESTINAL CANCERS NOVARTIS AG (CH) 2010-06-03 — — US disclosed
US-20100069458-A1 COMBINATION OF LBH589 WITH OTHER THERAPEUTIC AGENTS FOR TREATING CANCER NOVARTIS AG (CH) 2010-03-18 — — US disclosed
US-20090312311-A1 COMBINATION OF ORGANIC COMPOUNDS KSANDER GARY MICHAEL 2009-12-17 — — US disclosed
US-20090048156-A1 HDAC INHIBITORS AND HORMONE TARGETED DRUGS FOR THE TREATMENT OF CANCER UNIVERSITY OF MARYLAND, BALTIMORE 2009-02-19 — — 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 (4 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-20100137398-A1 USE OF HDAC INHIBITORS FOR THE TREATMENT OF GASTROINTESTINAL CANCERS HDAC5, HDAC1, HDAC9 HDAC1 2/4885HDAC2 4/4885HDAC3 9/4885
US-20090048156-A1 HDAC INHIBITORS AND HORMONE TARGETED DRUGS FOR THE TREATMENT OF CANCER HDAC5, HDAC1, HDAC4 HDAC1 2/4885HDAC2 6/4885HDAC3 4/4885
US-20100069458-A1 COMBINATION OF LBH589 WITH OTHER THERAPEUTIC AGENTS FOR TREATING CANCER MCL1, BAD, LPXN HDAC1 633/4885HDAC2 423/4885HDAC3 94/4885
US-20090312311-A1 COMBINATION OF ORGANIC COMPOUNDS OTC, OAT, CYP11B2 HDAC1 1432/4885HDAC2 1096/4885HDAC3 1271/4885

“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.