SCHEMBL13524769

SCHEMBL13524769

Cc1ccc(NC(=O)CCCCCCC(=O)NO)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 1.00
HDAC6 Q9UBN7 17/20 1.00
HDAC3 O15379 17/20 1.00
HDAC2 Q92769 17/20 1.00
HDAC11 Q96DB2 15/20 1.00
HDAC8 Q9BY41 15/20 1.00
HDAC10 Q969S8 15/20 1.00
NCOR2 Q9Y618 3/20 1.00
HDAC4 P56524 13/20 0.97
HDAC7 Q8WUI4 13/20 0.97
HDAC9 Q9UKV0 13/20 0.97
HDAC5 Q9UQL6 13/20 0.97
KDM4E B2RXH2 1/20 0.70
BRD4 O60885 1/20 0.70
NCOR1 O75376 1/20 0.70
NR1I2 O75469 1/20 0.70
EGFR P00533 1/20 0.70
CYP3A4 P08684 1/20 0.70
LTA4H P09960 1/20 0.70
NR0B1 P51843 1/20 0.70

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
SCHEMBL31635263 0.91 HDAC1 (0.83) HDAC1HDAC6HDAC3HDAC2HDAC11
SCHEMBL517697 0.91 HDAC3 (0.86) HDAC1HDAC6HDAC3HDAC2HDAC11
SCHEMBL19605418 0.86 HDAC1 (0.76) HDAC1HDAC6HDAC3HDAC2HDAC11
SCHEMBL19605450 0.86 HDAC1 (0.76) HDAC1HDAC6HDAC3HDAC2HDAC11
SCHEMBL17252159 0.86 HDAC3 (0.76) HDAC1HDAC6HDAC3HDAC2HDAC11
SCHEMBL5968936 0.86 HDAC3 (0.76) HDAC1HDAC6HDAC3HDAC2HDAC11
SCHEMBL1064449 0.86 HDAC1 (0.76) HDAC1HDAC6HDAC3HDAC2HDAC11
SCHEMBL2531377 0.86 HDAC3 (0.76) HDAC1HDAC6HDAC3HDAC2HDAC11
SCHEMBL13254437 0.86 HDAC3 (0.76) HDAC1HDAC6HDAC3HDAC2HDAC11
SCHEMBL2319941 0.86 HDAC3 (0.76) HDAC1HDAC6HDAC3HDAC2HDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021126974-A1 BIFUNCTIONAL AGENTS FOR PROTEIN RECRUITMENT AND/OR DEGRADATION ORIONIS BIOSCIENCES, INC. (US) 2021-06-24 WO disclosed
US-20210060014-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS CERENO SCIENTIFIC AB (SE) 2021-03-04 US disclosed
WO-2020191339-A1 PHOTOAFFINITY PROBES PROMEGA CORPORATION (US) 2020-09-24 WO disclosed
WO-2020026054-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER CELLIX BIO PRIVATE LIMITED (IN) 2020-02-06 WO disclosed
EP-3530290-A1 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-08-28 EP disclosed
US-9809603-B1 Deuterium-enriched isoindolinonyl-piperidinonyl conjugates and oxoquinazolin-3(4H)-yl-piperidinonyl conjugates and methods of treating medical disorders using same DEUTERX, LLC (US) 2017-11-07 US disclosed
US-20170020874-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS CERENO SCIENT AB (SE) 2017-01-26 US disclosed
WO-2016203337-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER MOHAN M ALAPATI (IN) 2016-12-22 WO disclosed
WO-2016203352-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER MOHAN M ALAPATI (IN) 2016-12-22 WO disclosed
US-20140051716-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS CERENO SCIENTIFIC AB 2014-02-20 US disclosed
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 US disclosed
US-7645747-B2 Improved pharmacokinetic properties, oral bioavailability; side effect reduction GILEAD SCIENCES, INC. (US) 2010-01-12 US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 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-20140051716-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 HDAC1 2/4885HDAC6 10/4885HDAC3 1/4885
US-20170020874-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 HDAC1 2/4885HDAC6 10/4885HDAC3 1/4885
US-20210060014-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 HDAC1 2/4885HDAC6 10/4885HDAC3 1/4885
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN HDAC1 1102/4885HDAC6 899/4885HDAC3 815/4885

“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.