SCHEMBL1757239

SCHEMBL1757239

COC(CCCNC(=O)OCc1ccccc1)OC

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.63
LMNA P02545 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
TGM2 P21980 1/20 0.56
KEAP1 Q14145 2/20 0.55
NFE2L2 Q16236 2/20 0.55
FOLH1 Q04609 3/20 0.54
SLC1A3 P43003 1/20 0.53
SLC1A1 P43005 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
DPP8 Q6V1X1 1/20 0.52
DPP7 Q9UHL4 1/20 0.52
MAPT P10636 1/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51

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
SCHEMBL358091 0.92 LMNA (0.61) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL16384886 0.91 HTT (0.53) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL6621545 0.86 HTT (0.60) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL29045163 0.86 HTT (0.63) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL10032568 0.86 HTT (0.67) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL16574785 0.85 HTT (0.62) HTTLMNASMN1; SMN2TGM2KEAP1
Ammonia Solution, Strong SCHEMBL8060380 0.84 HTT (0.65) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL25413770 0.84 HTT (0.68) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL6605706 0.84 HTT (0.68) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL10705410 0.84 HTT (0.60) HTTLMNASMN1; SMN2TGM2KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973163-B2 Fused quinoline derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) 2011-07-05 US disclosed
US-7943770-B2 Fused quinoline derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-17 US disclosed
EP-1740584-B9 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2010-06-09 EP disclosed
US-20090275568-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-05 US disclosed
US-20090270625-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2009-10-29 US disclosed
US-20090258893-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-15 US disclosed
US-7592453-B2 Fused quinoline derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-22 US disclosed
EP-2080760-A1 Fused quinoline derivative and use thereof Takeda Pharmaceutical Company Limited (JP) 2009-07-22 EP disclosed
EP-1740584-B1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2008-12-03 EP disclosed
US-20080039452-A1 Fused Quinoline Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-14 US disclosed
EP-1740584-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-01-10 EP disclosed
WO-2005105802-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-10 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 (4 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-20090275568-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TACR2, HRH3, HRH2 HTT 3553/4885LMNA 3999/4885SMN1; SMN2 3748/4885
US-20090258893-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TACR2, HRH3, HRH2 HTT 3553/4885LMNA 3999/4885SMN1; SMN2 3748/4885
US-20080039452-A1 Fused Quinoline Derivative and Use Thereof TACR2, HRH3, HRH2 HTT 3444/4885LMNA 4027/4885SMN1; SMN2 3715/4885
US-20090270625-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TACR2, HRH3, HRH2 HTT 3380/4885LMNA 4031/4885SMN1; SMN2 3712/4885

“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.