SCHEMBL1715214

SCHEMBL1715214

COC(=O)c1ccncc1NC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.56
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 2/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
NAMPT P43490 1/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP17A1 P05093 3/20 0.44
HSD17B10 Q99714 3/20 0.44
HTT P42858 1/20 0.43
ACVR1B P36896 1/20 0.43
TGFBR1 P36897 1/20 0.43
ACVRL1 P37023 1/20 0.43
KDM4C Q9H3R0 2/20 0.42
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
RAB9A P51151 1/20 0.41
PDE5A O76074 1/20 0.41
PDE4A P27815 1/20 0.41

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
SCHEMBL950258 0.89 ATR (0.53) ATRKDM4EALDH1A1GLAGAA
SCHEMBL535637 0.87 KDM4C (0.58) KDM4ENAMPTCYP17A1KDM4C
SCHEMBL18522430 0.83 NAMPT (0.50) ATRNAMPTCYP17A1KDM4CRAB9A
SCHEMBL5785610 0.82 KDM4E (0.51) ATRKDM4EALDH1A1GLAGAA
SCHEMBL18126653 0.81 KDM4C (0.52) ATRNAMPTCYP17A1KDM4CRAB9A
SCHEMBL23155544 0.81 NAMPT (0.46) ATRKDM4EALDH1A1GAANAMPT
SCHEMBL555073 0.81 NAMPT (0.48) ATRNAMPTCYP17A1RAB9A
SCHEMBL29957148 0.80 CYP17A1 (0.47) ATRNAMPTCYP17A1RAB9A
SCHEMBL1020140 0.80 CYP17A1 (0.47) ATRNAMPTCYP17A1RAB9A
SCHEMBL13748300 0.79 NAMPT (0.47) ATRGAANAMPTLMNACYP17A1

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
US-8034811-B2 Hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA A/S (DK) 2011-10-11 US disclosed
EP-1697312-B1 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2011-07-20 EP disclosed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 US disclosed
EP-1697312-A2 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF Leo Pharma A/S (DK) 2006-09-06 EP disclosed
WO-2005054179-A2 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2005-06-16 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-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof F9, F12, HDAC9 ATR 3601/4885KDM4E 843/4885ALDH1A1 804/4885

“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.