SCHEMBL676271

SCHEMBL676271

N=C(N)NCCCC(NC(=O)c1ccccc1)C(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.51
HDAC4 P56524 4/20 0.48
HDAC3 O15379 3/20 0.48
HDAC7 Q8WUI4 3/20 0.48
HDAC2 Q92769 3/20 0.48
HDAC10 Q969S8 3/20 0.48
HDAC11 Q96DB2 3/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
HDAC9 Q9UKV0 3/20 0.48
HDAC5 Q9UQL6 3/20 0.48
CCKBR P32239 1/20 0.44
EPHX1 P07099 2/20 0.43
MCHR1 Q99705 1/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
TPSAB1 Q15661 1/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL676270 1.00 HDAC1 (0.51) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL29458758 1.00 HDAC1 (0.51) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL10583019 1.00 HDAC1 (0.51) HDAC1HDAC4HDAC3HDAC7HDAC2
Hydrochloric Acid SCHEMBL10603655 0.99 HDAC1 (0.50) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL8994359 0.92 HDAC1 (0.46) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL8341786 0.88 HDAC1 (0.43) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL8342382 0.88 MEN1 (0.43) HDAC1EPHX1CYP2C19MEN1KMT2A
Hydrochloric Acid SCHEMBL28274785 0.87 MEN1 (0.43) HDAC1EPHX1CYP2C19MEN1KMT2A
Hydrochloric Acid SCHEMBL28274778 0.87 MEN1 (0.43) HDAC1EPHX1CYP2C19MEN1KMT2A
SCHEMBL27352129 0.87 NPY4R (0.47) EPHX1MEN1KMT2AMAPT

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 177 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3206723-A1 BIOLOGICAL INDICATOR American Sterilizer Company (US) 2017-08-23 EP claimed
US-9701968-B2 Biological indicator AMERICAN STERILIZER COMPANY (US) 2017-07-11 US claimed
US-20160312263-A1 BIOLOGICAL INDICATOR AMERICAN STERILIZER CO (US) 2016-10-27 US claimed
WO-2016060714-A1 BIOLOGICAL INDICATOR AMERICAN STERILIZER COMPANY (US) 2016-04-21 WO claimed
US-20160102335-A1 BIOLOGICAL INDICATOR AMERICAN STERILIZER COMPANY 2016-04-14 US claimed
US-20150011730-A1 Cyclin Based Inhibitors of CDK2 and CDK4 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-01-08 US claimed
US-20140296484-A1 Cyclin Based Inhibitors of CDK2 and CDK4 UNIVERSITY OF SOUTH CAROLINA (US) 2014-10-02 US claimed
US-8507248-B2 Genetically engineered biological indicator AMERICAN STERILIZER COMPANY (US) 2013-08-13 US claimed
US-8173389-B2 Process for determining the effectiveness of a sterilization AMERICAN STERILIZER COMPANY (US) 2012-05-08 US claimed
US-20100267044-A1 GENETICALLY ENGINEERED BIOLOGICAL INDICATOR FRANCISKOVICH PHILLIP P 2010-10-21 US claimed
WO-2008082728-A2 STERILIZATION INDICATOR AMERICAN STERILIZER COMPANY (US) 2008-07-10 WO claimed
WO-2008079469-A2 GENETICALLY ENGINEERED BIOLOGICAL INDICATOR AMERICAN STERILIZER COMPANY (US) 2008-07-03 WO claimed
US-20080070231-A1 Reporter genes taken up by microorganism, and repressor gene inhibits expression AMERICAN STERILIZER COMPANY 2008-03-20 US claimed
US-20080070272-A1 STERILIZATION INDICATOR AMERICAN STERILIZER COMPANY 2008-03-20 US claimed
EP-0380932-B1 Solid phase test for the detection of periodontal disease in subgingival plaque LOESCHE WALTER J (US) 1996-08-21 EP claimed
US-5223403-A Device for diagnosing periodontal disease UNIVERSITY OF MICHIGAN (US) 1993-06-29 US claimed
EP-0523079-A1 SYSTEM FOR DIAGNOSING PERIODONTAL DISEASE THE UNIVERSITY OF MICHIGAN (US) 1993-01-20 EP claimed
US-5116735-A Colorimetric assay, hydrolysis of chromogen THE UNIVERSITY OF MICHIGAN (US) 1992-05-26 US claimed
WO-1991014000-A1 SYSTEM FOR DIAGNOSING PERIODONTAL DISEASE THE UNIVERSITY OF MICHIGAN (US) 1991-09-19 WO claimed
EP-0380932-A2 Solid phase test for the detection of periodontal disease in subgingival plaque Loesche, Walter J. (US) 1990-08-08 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20150011730-A1 Cyclin Based Inhibitors of CDK2 and CDK4 CDK4, CDK2, CDK8 HDAC1 389/4885HDAC4 527/4885HDAC3 1175/4885
US-20140296484-A1 Cyclin Based Inhibitors of CDK2 and CDK4 CDK4, CDK2, CDK8 HDAC1 389/4885HDAC4 527/4885HDAC3 1175/4885

“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.