SCHEMBL4176072

SCHEMBL4176072

O=C(C#Cc1ccccc1)NCCc1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
MAPT P10636 2/20 0.55
PLAAT3 P53816 2/20 0.55
PLAAT5 Q96KN8 2/20 0.55
PLAAT2 Q9NWW9 2/20 0.55
PLAAT4 Q9UL19 2/20 0.55
CNR1 P21554 3/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
TAAR1 Q96RJ0 2/20 0.51
LTA4H P09960 1/20 0.50
EPHX2 P34913 1/20 0.50
USP2 O75604 1/20 0.49
HPGD P15428 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NLRP3 Q96P20 1/20 0.49
CYP1A2 P05177 1/20 0.49

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
SCHEMBL4176134 0.90 CA12 (0.53) PLAAT3PLAAT5PLAAT2PLAAT4NPC1
SCHEMBL4169211 0.86 CNR1 (0.58) LMNAMAPTCNR1NPC1RAB9A
SCHEMBL4178343 0.86 RAB9A (0.55) PLAAT3PLAAT5PLAAT2PLAAT4NPC1
SCHEMBL4164307 0.86 NPC1 (0.55) MAPTPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4174070 0.85 KMT2A (0.55) LMNAMAPTPLAAT3PLAAT5PLAAT2
SCHEMBL4181751 0.85 PYGL (0.59) PLAAT3PLAAT5PLAAT2PLAAT4MEN1
SCHEMBL4173101 0.85 ALDH1A1 (0.61) MAPTPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4168536 0.84 NPC1 (0.48) LMNAMAPTPLAAT3PLAAT5PLAAT2
SCHEMBL4175187 0.84 ALDH1A1 (0.58) LMNAMAPTCNR1NPC1RAB9A
SCHEMBL4175976 0.84 CNR1 (0.58) LMNAMAPTCNR1NPC1RAB9A

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 LMNA 1560/4885MAPT 2674/4885PLAAT3 2664/4885

“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.