SCHEMBL4178462

SCHEMBL4178462

O=C(C#Cc1cccc(Cl)c1)NCCn1ccnc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ ALDH1A1 P00352 2/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ MAPT P10636 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MAOB P27338 1/20 0.51
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ NAMPT P43490 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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 0.86 PYGL (0.51) MEN1KMT2AALDH1A1L3MBTL1MAPT
SCHEMBL4175197 0.81 PYGL (0.46) MEN1KMT2AALDH1A1L3MBTL1CYP3A4
SCHEMBL4175901 0.77 PYGL (0.49) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL10833281 0.76 ALDH1A1 (0.87) MEN1KMT2AALDH1A1L3MBTL1MAPT
SCHEMBL4175251 0.74 NPC1 (0.57) MEN1KMT2AALDH1A1MAPTNAMPT
SCHEMBL2346646 0.74 PYGL (0.41) MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL10853932 0.74 MEN1 (1.00) MEN1KMT2AALDH1A1L3MBTL1MAOB
SCHEMBL4179866 0.73 ALDH1A1 (0.56) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4175879 0.73 LMNA (0.54) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL4174070 0.72 KMT2A (0.55) MEN1KMT2AALDH1A1MAPTLMNA

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 4 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
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 MEN1 3427/4885KMT2A 2691/4885ALDH1A1 2932/4885

“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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