SCHEMBL692080

SCHEMBL692080

C=CCN(CC=C)C(=O)[S]

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
SMN1; SMN2 Q16637 5/20 0.38
CYP1A2 P05177 1/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 5/20 0.35
HPGD P15428 2/20 0.35
ALOX12 P18054 1/20 0.35
CCR6 P51684 1/20 0.35
DPP4 P27487 1/20 0.34
KDM4E B2RXH2 3/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KCNH2 Q12809 1/20 0.32
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL13786 0.77 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2CYP1A2POLBLMNA
SCHEMBL569156 0.77 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2CYP1A2POLBLMNA
SCHEMBL88004 0.74 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2CYP1A2POLBLMNA
SCHEMBL3258454 0.74 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2CYP1A2POLBLMNA
SCHEMBL88005 0.74 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2CYP1A2POLBLMNA
SCHEMBL5932896 0.74
SCHEMBL49389 0.72 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2CYP1A2POLBLMNA
SCHEMBL7156751 0.72 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2CYP1A2POLBLMNA
SCHEMBL692534 0.72 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2CYP1A2POLBLMNA
SCHEMBL173228 0.72 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2POLBLMNAHPGD

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
EP-1953148-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-02-29 EP claimed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 US claimed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US claimed
EP-1953148-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-08-06 EP claimed
EP-1953148-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-02-29 EP disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 US disclosed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
EP-1953148-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-08-06 EP disclosed
US-20060088786-A1 Rewritable optical information recording medium, recording and reproducing methods, as well as recording and reproducing apparatus MITSUI CHEMICALS, INC. (JP) 2006-04-27 US disclosed
EP-1484191-A1 REWRITABLE OPTICAL INFORMATION RECORDING MEDIUM AND RECORDING/REPRODUCING METHOD, RECORDING/REPRODUCING DEVICE Sony Corporation (JP) 2004-12-08 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-20060088786-A1 Rewritable optical information recording medium, recording and reproducing methods, as well as recording and reproducing apparatus ALPG, TRPC6, GNRHR ALDH1A1 2071/4885SMN1; SMN2 3024/4885CYP1A2 2451/4885
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF MMP2, MMP9, MMP1 ALDH1A1 423/4885SMN1; SMN2 3942/4885CYP1A2 471/4885

“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.