SCHEMBL181679

SCHEMBL181679

O=C(C=Cc1ccc(CNC2(C(=O)OC3CCCC3)CCCCC2)cn1)NO

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 17/20 0.41
HDAC6 Q9UBN7 17/20 0.41
HDAC1 Q13547 16/20 0.41
HDAC4 P56524 15/20 0.41
HDAC8 Q9BY41 15/20 0.41
HDAC5 Q9UQL6 9/20 0.41
MEF2D Q14814 2/20 0.38
CDK9 P50750 1/20 0.37
HDAC2 Q92769 9/20 0.37
HDAC7 Q8WUI4 7/20 0.37
HDAC10 Q969S8 7/20 0.37
HDAC11 Q96DB2 7/20 0.37
HDAC9 Q9UKV0 7/20 0.37
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL181678 1.00 HDAC3 (0.41) HDAC3HDAC6HDAC1HDAC4HDAC8
SCHEMBL181812 0.99 HDAC4 (0.40) HDAC3HDAC6HDAC1HDAC4HDAC8
SCHEMBL181811 0.99 HDAC4 (0.40) HDAC3HDAC6HDAC1HDAC4HDAC8
SCHEMBL181963 0.97 HDAC4 (0.40) HDAC3HDAC6HDAC1HDAC4HDAC8
SCHEMBL181962 0.97 HDAC4 (0.40) HDAC3HDAC6HDAC1HDAC4HDAC8
Trifluoroacetic Acid SCHEMBL9894994 0.93 HDAC3 (0.38) HDAC3HDAC6HDAC1HDAC4HDAC8
Trifluoroacetic Acid SCHEMBL9894997 0.93 HDAC3 (0.38) HDAC3HDAC6HDAC1HDAC4HDAC8
SCHEMBL10072100 0.92 HDAC4 (0.38) HDAC3HDAC6HDAC1HDAC4HDAC8
SCHEMBL7897997 0.87 HDAC3 (0.56) HDAC3HDAC6HDAC1HDAC4HDAC8
SCHEMBL9895603 0.87 HDAC3 (0.56) HDAC3HDAC6HDAC1HDAC4HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140155439-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-05 US claimed
US-20130303576-A1 ENZYME INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-11-14 US claimed
US-20120149736-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2012-06-14 US claimed
EP-2401257-A1 ENZYME INHIBITORS Chroma Therapeutics Ltd. (GB) 2012-01-04 EP claimed
WO-2010097586-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2010-09-02 WO claimed
US-9636409-B2 Enzyme and receptor modulation using covalent conjugates of alpha,alpha-disubstituted glycine esters GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-05-02 US disclosed
US-20160151509-A1 ENZYME AND RECEPTOR MODULATION GLAXOSMITHKLINE IP DEV LTD (GB) 2016-06-02 US disclosed
US-20140155439-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-05 US disclosed
US-20140088159-A1 ENZYME AND RECEPTOR MODULATION CHROMA THERAPEUTICS LTD. (GB) 2014-03-27 US disclosed
US-20130303576-A1 ENZYME INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-11-14 US disclosed
US-20120149736-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2012-06-14 US disclosed
US-20100317865-A1 ENZYME AND RECEPTOR MODULATION c/o Chroma Therapeutics Ltd. (GB) 2010-12-16 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 (6 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-20130303576-A1 ENZYME INHIBITORS HDAC1, HDAC4, HDAC3 HDAC3 3/4885HDAC6 45/4885HDAC1 1/4885
US-20140088159-A1 ENZYME AND RECEPTOR MODULATION CES1, GLRB, GLRA1 HDAC3 2617/4885HDAC6 3490/4885HDAC1 2824/4885
US-20140155439-A1 ENZYME INHIBITORS HDAC4, HDAC1, HDAC3 HDAC3 3/4885HDAC6 77/4885HDAC1 2/4885
US-20160151509-A1 ENZYME AND RECEPTOR MODULATION CES1, GLRB, GLRA1 HDAC3 2617/4885HDAC6 3490/4885HDAC1 2824/4885
US-20120149736-A1 ENZYME INHIBITORS HAT1, HDAC1, NAT1 HDAC3 5/4885HDAC6 18/4885HDAC1 2/4885
US-20100317865-A1 ENZYME AND RECEPTOR MODULATION CES1, GLRB, GLRA1 HDAC3 2617/4885HDAC6 3490/4885HDAC1 2824/4885

“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.