SCHEMBL3085678

SCHEMBL3085678

N#Cc1c[nH]cc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 2/20 0.42
PRKAB2 O43741 4/20 0.36
PRKAG1 P54619 4/20 0.36
PRKAA2 P54646 4/20 0.36
PRKAA1 Q13131 4/20 0.36
PRKAG3 Q9UGI9 4/20 0.36
PRKAG2 Q9UGJ0 4/20 0.36
PRKAB1 Q9Y478 4/20 0.36
DAO P14920 1/20 0.36
ALOX15 P16050 1/20 0.33
DPYD Q12882 1/20 0.33
CYP1A2 P05177 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL24638465 0.80 CDC7 (0.36) NOTUMKDM4EHSD17B10ALDH1A1DPYD
SCHEMBL11937455 0.77 ALDH1A1 (0.54) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL9788726 0.75 GAA (0.47) KDM4EHSD17B10ALDH1A1KMT2ACYP1A2
SCHEMBL11937456 0.75 MAPT (0.35) NOTUMKDM4EHSD17B10ALDH1A1KMT2A
SCHEMBL70047 0.74 NOTUM (0.65) NOTUMKDM4EALDH1A1KMT2AALOX15
SCHEMBL442565 0.74
SCHEMBL8586090 0.73 KDM4E (0.50) NOTUMKDM4EHSD17B10ALDH1A1DAO
SCHEMBL16968396 0.73 KDM4E (0.50) NOTUMKDM4EHSD17B10ALDH1A1DAO
SCHEMBL11937462 0.70 HPGD (0.43) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL11116363 0.70 KDM4E (0.47) NOTUMKDM4EHSD17B10ALDH1A1DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9023882-B2 5-membered nitrogen containing heterocyclic derivatives and pharmaceutical compositions comprising the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-05-05 US disclosed
US-9023882-B2 5-membered nitrogen containing heterocyclic derivatives and pharmaceutical compositions comprising the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-05-05 US disclosed
US-9023882-B2 5-membered nitrogen containing heterocyclic derivatives and pharmaceutical compositions comprising the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-05-05 US disclosed
US-20120289506-A1 5-MEMBERED NITROGEN CONTAINING HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-11-15 US disclosed
US-20120289506-A1 5-MEMBERED NITROGEN CONTAINING HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-11-15 US disclosed
US-20120289506-A1 5-MEMBERED NITROGEN CONTAINING HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-11-15 US disclosed
US-8227500-B2 5-membered nitrogen containing heterocyclic derivatives and pharmaceutical compositions comprising the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-07-24 US disclosed
US-8227500-B2 5-membered nitrogen containing heterocyclic derivatives and pharmaceutical compositions comprising the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-07-24 US disclosed
US-8227500-B2 5-membered nitrogen containing heterocyclic derivatives and pharmaceutical compositions comprising the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-07-24 US disclosed
US-20100227864-A1 5-MEMBERED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-09 US disclosed
US-20100227864-A1 5-MEMBERED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-09 US disclosed
US-20100227864-A1 5-MEMBERED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-09 US disclosed
EP-2133331-A1 5-MEMBERED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2009-12-16 EP 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 (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-20100227864-A1 5-MEMBERED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, DAO, CBR1 NOTUM 1387/4885KDM4E 1199/4885HSD17B10 504/4885
US-20120289506-A1 5-MEMBERED NITROGEN CONTAINING HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME XDH, DAO, DDO NOTUM 1296/4885KDM4E 1638/4885HSD17B10 622/4885

“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.