SCHEMBL3084767

SCHEMBL3084767

CCOC(=O)c1ccc(-n2cc(-c3ccc4c(c3)OCO4)c(C#N)n2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 6/20 0.53
RAB9A P51151 5/20 0.53
NPC1 O15118 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
HSD17B10 Q99714 4/20 0.53
ALOX15 P16050 3/20 0.53
HPGD P15428 3/20 0.53
TP53 P04637 2/20 0.53
SIRT2 Q8IXJ6 3/20 0.48
SIRT1 Q96EB6 2/20 0.48
SIRT3 Q9NTG7 1/20 0.48
MAPT P10636 5/20 0.47
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
PRKCI P41743 1/20 0.46
PRKCZ Q05513 1/20 0.46
USP2 O75604 1/20 0.46

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
SCHEMBL3088602 0.85 PTPN11 (0.49) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL2995600 0.76 MAPT (0.67) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL3084313 0.74 ALDH1A1 (0.48) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL29394052 0.71 RAB9A (0.73) KDM4EALDH1A1RAB9ANPC1HSD17B10
SCHEMBL1640023 0.71 RAB9A (0.73) KDM4EALDH1A1RAB9ANPC1HSD17B10
SCHEMBL11941402 0.70 RAB9A (0.47) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL5827808 0.70 SIRT2 (0.64) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL11937600 0.69
SCHEMBL5990234 0.69 PRKCI (0.53) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL3086925 0.68 KDM4E (0.50) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2

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-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-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
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 KDM4E 1199/4885ALDH1A1 700/4885RAB9A 3927/4885
US-20120289506-A1 5-MEMBERED NITROGEN CONTAINING HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME XDH, DAO, DDO KDM4E 1638/4885ALDH1A1 1225/4885RAB9A 3861/4885

“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.