SCHEMBL1258997

SCHEMBL1258997

NC(=O)[N]CN1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 1/20 0.39
ALDH1A1 P00352 5/20 0.37
MAPT P10636 4/20 0.37
GAA P10253 1/20 0.37
POLB P06746 1/20 0.37
CYP1A2 P05177 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTT P42858 1/20 0.34
HPGD P15428 1/20 0.32
ANPEP P15144 1/20 0.32
ERAP2 Q6P179 1/20 0.32
TSHR P16473 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL1260212 0.98 L3MBTL1 (0.48) L3MBTL1LMNAALDH1A1MAPTGAA
SCHEMBL1260263 0.95
SCHEMBL6477465 0.73 HRH3 (0.49) L3MBTL1LMNAALDH1A1MAPTPOLB
Urea SCHEMBL7781133 0.67 L3MBTL1 (0.50) L3MBTL1LMNAALDH1A1MAPTGAA
SCHEMBL168399 0.67
SCHEMBL4703975 0.67 L3MBTL1 (0.45) L3MBTL1LMNAALDH1A1MAPTGAA
SCHEMBL12630747 0.66
Hydrochloric Acid SCHEMBL10425822 0.65 L3MBTL1 (0.48) L3MBTL1LMNAALDH1A1MAPTGAA
SCHEMBL4322835 0.65 L3MBTL1 (0.48) L3MBTL1LMNAALDH1A1MAPTGAA
Hydrochloric Acid SCHEMBL73679 0.65 KDM4E (0.60) L3MBTL1ALDH1A1MAPTGAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445509-B2 Fused heterocyclic derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-21 US disclosed
US-8304557-B2 Fused heterocycle derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-06 US disclosed
US-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-24 US disclosed
EP-2162445-A1 HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-03-17 EP disclosed
WO-2009136663-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 WO disclosed
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 US disclosed
WO-2008150015-A1 HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-11 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 (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-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF ABL1, MAP4K2, MAP3K20 L3MBTL1 3212/4885LMNA 3734/4885ALDH1A1 2255/4885
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF NOX3, NOX5, ZYX L3MBTL1 2234/4885LMNA 3695/4885ALDH1A1 2812/4885

“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.