SCHEMBL2111127

SCHEMBL2111127

O=C(O)N1CCOc2nc(N3CCOCC3)ccc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 9/20 0.41
HPGD P15428 4/20 0.41
HSD17B10 Q99714 3/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
GAA P10253 4/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
AKT1 P31749 2/20 0.39
PIK3CA P42336 1/20 0.39
AKR1C3 P42330 2/20 0.39
PKM P14618 1/20 0.39
POLB P06746 1/20 0.39
ALOX15 P16050 1/20 0.39
ABHD6 Q9BV23 1/20 0.37
KMO O15229 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL2110387 0.90 KDM4E (0.40) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL2112507 0.88 ALDH1A1 (0.32) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL8203593 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL2110108 0.80 CHRM4 (0.39) ALDH1A1HPGDHSD17B10PIK3CACYP2C9
SCHEMBL2111759 0.79 ABHD6 (0.40) HPGDPIK3CAAKR1C3ABHD6
SCHEMBL2112119 0.79 MEN1 (0.51) MEN1KMT2ACYP2C19
SCHEMBL2913101 0.74 KDM4E (0.41) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL2910571 0.74 KDM4E (0.41) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL2910573 0.74 KDM4E (0.41) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL2904010 0.72 GRM5 (0.44) ALDH1A1HPGDMAPTLMNA

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-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-08-27 US disclosed
US-9079907-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-14 US disclosed
EP-2018863-B9 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL (JP) 2015-02-18 EP disclosed
EP-2018863-B1 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL (JP) 2014-08-13 EP disclosed
EP-2742936-A1 Fused heterocyclic compound and use thereof Takeda Pharmaceutical Company Limited (JP) 2014-06-18 EP disclosed
EP-2727585-A1 In-vivo screening method Takeda Pharmaceutical Company Limited (JP) 2014-05-07 EP disclosed
US-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SHIRAI JUNYA (JP) 2012-06-28 US disclosed
US-8158617-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-17 US disclosed
US-20090131402-A1 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-05-21 US disclosed
EP-2018863-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-01-28 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 (3 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-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B ALDH1A1 822/4885KDM4E 2572/4885HPGD 1190/4885
US-20090131402-A1 Fused heterocyclic compound and use thereof HTR2C, HTR3C, HTR3B ALDH1A1 822/4885KDM4E 2572/4885HPGD 1190/4885
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B ALDH1A1 822/4885KDM4E 2572/4885HPGD 1190/4885

“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.