SCHEMBL7705371

SCHEMBL7705371

CCCCCNNC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.49
HDAC2 Q92769 8/20 0.49
HDAC3 O15379 7/20 0.49
HDAC8 Q9BY41 4/20 0.49
EPHX1 P07099 6/20 0.48
HDAC11 Q96DB2 3/20 0.45
HDAC6 Q9UBN7 1/20 0.45
PAOX Q6QHF9 1/20 0.43
CASP2 P42575 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL18950082 0.98 EPHX1 (0.52) HDAC1HDAC2HDAC3HDAC8EPHX1
SCHEMBL11639864 0.98 EPHX1 (0.52) HDAC1HDAC2HDAC3HDAC8EPHX1
SCHEMBL4072926 0.83 EPHX1 (0.56) HDAC1HDAC2HDAC3HDAC8EPHX1
SCHEMBL3891234 0.82
SCHEMBL1442907 0.81 HDAC3 (0.49) HDAC1HDAC2HDAC3HDAC8EPHX1
SCHEMBL16266153 0.80 MAPT (0.62) HDAC1HDAC2HDAC3HDAC8EPHX1
SCHEMBL253169 0.79 HDAC1 (0.47) HDAC1HDAC2HDAC3HDAC8EPHX1
SCHEMBL9229464 0.79 HDAC1 (0.47) HDAC1HDAC2HDAC3HDAC8EPHX1
SCHEMBL2420545 0.79 EPHX1 (0.52) HDAC1HDAC2HDAC3HDAC8EPHX1
SCHEMBL13731861 0.79 EPHX1 (0.52) HDAC1HDAC2HDAC3HDAC8EPHX1

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
WO-2017129818-A1 LINKER MOLECULE AND USE THEREOF IN METHODS FOR PURIFYING PEPTIDES HUMBOLDT-UNIVERSITÄT ZU BERLIN (DE) 2017-08-03 WO disclosed
US-20110294813-A1 OXAZOLIDINONE DERIVATIVE HAVING INHIBITORY ACTIVITY ON 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 SHIONOGI & CO., LTD. (JP) 2011-12-01 US disclosed
US-6346543-B1 ADMINISTERING BACCATIN DERIVATIVE AS ANTICARCINOGENIC AGENT AVENTIS PHARMA S.A. (FR) 2002-02-12 US disclosed
US-5814658-A Taxoids, their preparation and pharmaceutical compositions containing them RHONE-POULENC RORER S.A. (FR) 1998-09-29 US disclosed
US-5606068-A Acid anhydrides, their preparation and their use RHONE-POULENC RORER S.A. (FR) 1997-02-25 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 (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-20110294813-A1 OXAZOLIDINONE DERIVATIVE HAVING INHIBITORY ACTIVITY ON 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD17B3, HSD17B1, HSD3B1 HDAC1 179/4885HDAC2 329/4885HDAC3 211/4885

“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.