SCHEMBL4175197

SCHEMBL4175197

O=C(C#Cc1cccc(Cl)c1)NCCn1cccn1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 1/20 0.46
▸ THRB P10828 3/20 0.43
▸ NAMPT P43490 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ SNCA P37840 2/20 0.38
▸ VCP P55072 1/20 0.38
▸ GRM5 P41594 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KLKB1 P03952 1/20 0.38
▸ GFER P55789 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
SCHEMBL4178319 0.84 PYGL (0.51) PYGLKMT2AMEN1GRM5CYP3A4
SCHEMBL4178462 0.81 MEN1 (0.58) NAMPTKMT2AMEN1CYP3A4ALDH1A1
SCHEMBL4174409 0.78 GRM5 (0.40) THRBKMT2AVCPGRM5CYP3A4
SCHEMBL4175901 0.75 PYGL (0.49) PYGLKMT2AMEN1CYP3A4ALDH1A1
SCHEMBL2346646 0.75 PYGL (0.41) PYGLKMT2AMEN1VCPGRM5
SCHEMBL4179866 0.74 ALDH1A1 (0.56) PYGLTHRBKMT2AMEN1ALDH1A1
SCHEMBL4175879 0.74 LMNA (0.54) PYGLKMT2AMEN1ALDH1A1
SCHEMBL4174070 0.73 KMT2A (0.55) PYGLKMT2AMEN1ALDH1A1
SCHEMBL4175251 0.73 NPC1 (0.57) PYGLNAMPTKMT2AMEN1ALDH1A1
SCHEMBL4181271 0.71 PYGL (0.44) PYGLKMT2AMEN1VCPGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090182020-A1 SUBSTITUTED BIS(HETERO)AROMATIC N--ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS GRUNENTHAL GMBH (DE) 2009-07-16 — — US claimed
EP-1968935-A1 SUBSTITUTED BIS(HETERO)AROMATIC N-ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2008-09-17 — — EP claimed
WO-2007079958-A1 SUBSTITUTED BIS(HETERO)AROMATIC N-ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2007-07-19 — — WO claimed
US-20090182020-A1 SUBSTITUTED BIS(HETERO)AROMATIC N--ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS GRUNENTHAL GMBH (DE) 2009-07-16 — — US disclosed
EP-1968935-A1 SUBSTITUTED BIS(HETERO)AROMATIC N-ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2008-09-17 — — EP disclosed
WO-2007079958-A1 SUBSTITUTED BIS(HETERO)AROMATIC N-ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2007-07-19 — — 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 (1 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-20090182020-A1 SUBSTITUTED BIS(HETERO)AROMATIC N--ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS FHIT, CYP3A43, DNPEP PYGL 422/4885THRB 3922/4885NAMPT 1100/4885

“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.

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