SCHEMBL1421467

SCHEMBL1421467

N=C(NCC(=O)O)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 2/20 0.41
▸ HIF1AN Q9NWT6 2/20 0.41
▸ BBOX1 O75936 1/20 0.41
▸ ASPH Q12797 1/20 0.41
▸ KDM8 Q8N371 1/20 0.41
▸ EPHX1 P07099 1/20 0.41
▸ CES2 O00748 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ OGFOD1 Q8N543 1/20 0.37
▸ EGLN2 Q96KS0 1/20 0.37
▸ EGLN3 Q9H6Z9 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ITGB1 P05556 1/20 0.36
▸ ITGA5 P08648 1/20 0.36

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
SCHEMBL1449384 0.79 EPHX1 (0.59) EGLN1HIF1ANBBOX1ASPHKDM8
SCHEMBL15865900 0.79 EPHX1 (0.59) EGLN1HIF1ANBBOX1ASPHKDM8
SCHEMBL1651905 0.77 EPHX1 (0.55) EGLN1HIF1ANBBOX1ASPHKDM8
SCHEMBL1420894 0.75 EPHX1 (0.42) EPHX1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL10383489 0.73 ALDH1A1 (0.50) EPHX1KMT2AALDH1A1SMN1; SMN2EPHX2
SCHEMBL11117455 0.72 CES2 (0.44) EPHX1CES2CES1HDAC8HDAC6
SCHEMBL845001 0.72 ALDH1A1 (0.52) EGLN1HIF1ANBBOX1ASPHKDM8
SCHEMBL31573932 0.68 ALDH1A1 (0.48) EPHX1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6137896 0.68 RAB9A (0.56) EPHX1KMT2ASMN1; SMN2ITGB1ITGA5
SCHEMBL29941205 0.68 EPHX2 (0.66) EPHX1ALDH1A1SMN1; SMN2EPHX2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160046601-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-02-18 — — US disclosed
US-9221836-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-29 — — US disclosed
US-20150191486-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-07-09 — — US disclosed
US-9045436-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-06-02 — — US disclosed
US-8664380-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-04 — — US disclosed
US-8466282-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-18 — — US disclosed
US-20120264733-A1 HETEROCYCLIC COMPOUND AND USE THEREOF SCOHIA PHARMA, INC. (JP) 2012-10-18 — — US disclosed
US-20110178057-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 — — US disclosed
EP-2297114-A2 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-03-23 — — EP disclosed
US-20100137587-A1 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-06-03 — — 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 (5 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-20120264733-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE EGLN1 370/4885HIF1AN 377/4885BBOX1 216/4885
US-20110178057-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE EGLN1 611/4885HIF1AN 290/4885BBOX1 356/4885
US-20150191486-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE EGLN1 370/4885HIF1AN 377/4885BBOX1 216/4885
US-20160046601-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE EGLN1 370/4885HIF1AN 377/4885BBOX1 216/4885
US-20100137587-A1 Heterocyclic compound and use thereof REN, AGT, ACE EGLN1 370/4885HIF1AN 377/4885BBOX1 216/4885

“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.

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