Sugi Predict

Sugi Predict / Compounds / SCHEMBL2928043

SCHEMBL2928043

SCHEMBL2928043

CC1N=C(c2ccccc2)c2cc(NC(=O)CCCCCCC(=O)O)ccc2N(C)C1=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 9/20 0.53
▸ HDAC6 Q9UBN7 8/20 0.53
▸ HDAC3 O15379 7/20 0.53
▸ HDAC8 Q9BY41 7/20 0.53
▸ HDAC4 P56524 6/20 0.52
▸ HDAC7 Q8WUI4 6/20 0.52
▸ HDAC2 Q92769 6/20 0.52
▸ HDAC10 Q969S8 6/20 0.52
▸ HDAC11 Q96DB2 6/20 0.52
▸ HDAC9 Q9UKV0 6/20 0.52
▸ HDAC5 Q9UQL6 6/20 0.52
▸ LMNA P02545 1/20 0.48
▸ OPRK1 P41145 1/20 0.48
▸ PDE3A Q14432 1/20 0.48
▸ CCKBR P32239 9/20 0.47

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
SCHEMBL2928291 1.00 HDAC1 (0.53) HDAC1HDAC6HDAC3HDAC8HDAC4
SCHEMBL3788122 0.94 HDAC1 (0.62) HDAC1HDAC6HDAC3HDAC8HDAC4
SCHEMBL3787779 0.94 HDAC1 (0.62) HDAC1HDAC6HDAC3HDAC8HDAC4
SCHEMBL3782474 0.94 HDAC1 (0.62) HDAC1HDAC6HDAC3HDAC8HDAC4
SCHEMBL3783833 0.83 HDAC6 (0.60) HDAC1HDAC6HDAC3HDAC8HDAC4
SCHEMBL2920482 0.82 HDAC1 (0.60) HDAC1HDAC6HDAC3HDAC8HDAC4
SCHEMBL2929330 0.77 HDAC1 (0.69) HDAC1HDAC6HDAC3HDAC8HDAC4
SCHEMBL2927816 0.77 HDAC1 (0.69) HDAC1HDAC6HDAC3HDAC8HDAC4
SCHEMBL2927814 0.77 HDAC1 (0.69) HDAC1HDAC6HDAC3HDAC8HDAC4
SCHEMBL14960227 0.77 LMNA (0.53) LMNAOPRK1PDE3ACCKBR

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
EP-2231623-B1 5-PHENYL-1H-BENZO[E][1, 4]DIAZEPINE COMPOUNDS SUBSTITUTED WITH AN HYDROXAMIC ACID GROUP AS HISTONE DEACETYLASE INHIBITORS UNIV FIRENZE (IT) 2013-05-22 — — EP disclosed
US-8324202-B2 5-phenyl-1H-benzo [E] [1,4] diazepine compounds substituted with an hydroxamic acid group as histone deacetylase inhibitors UNIVERSITA DEGLI STUDI DI FIRENZE (IT) 2012-12-04 — — US disclosed
US-20100331316-A1 5-PHENYL-LH-BENZ0 [E] [1,4] DIAZEPINE COMPOUNDS SUBSTITUTED WITH AN HYDROXAMIC ACID GROUP AS HISTONE DEACETYLASE INHIBITORS A.I.L. FIRENZE SEZIONE AUTONOMA DI FIRENZE DELL'ASSOCIAZIONE ITALIANA CONTRO LE LEUCEMIE, LINFOMI E MIELOMA - ONLUS (IT) 2010-12-30 — — US disclosed
EP-2231623-A1 5-PHENYL-LH-BENZ0 [E] [1, 4] DIAZEPINE COMPOUNDS SUBSTITUTED WITH AN HYDROXAMIC ACID GROUP AS HISTONE DEACETYLASE INHIBITORS Universita' Degli Studi di Firenze (IT) 2010-09-29 — — EP disclosed
WO-2009081349-A1 5-PHENYL-LH-BENZ0 [E] [1, 4] DIAZEPINE COMPOUNDS SUBSTITUTED WITH AN HYDROXAMIC ACID GROUP AS HISTONE DEACETYLASE INHIBITORS UNIVERSITA' DEGLI STUDI DI FIRENZE (IT) 2009-07-02 — — 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-20100331316-A1 5-PHENYL-LH-BENZ0 [E] [1,4] DIAZEPINE COMPOUNDS SUBSTITUTED WITH AN HYDROXAMIC ACID GROUP AS HISTONE DEACETYLASE INHIBITORS HDAC10, HDAC1, HDAC5 HDAC1 2/4885HDAC6 13/4885HDAC3 8/4885

“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.