SCHEMBL4181355

SCHEMBL4181355

O=C(C#Cc1cccs1)NCCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 2/20 0.49
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
LMNA P02545 2/20 0.47
PLAAT3 P53816 1/20 0.47
PLAAT5 Q96KN8 1/20 0.47
PLAAT2 Q9NWW9 1/20 0.47
PLAAT4 Q9UL19 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 2/20 0.44
TRPV1 Q8NER1 3/20 0.43
LIPG Q9Y5X9 1/20 0.42
NR1I3 Q14994 1/20 0.41
FFAR1 O14842 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BCL2A1 Q16548 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
HSP90AA1 P07900 1/20 0.39

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
SCHEMBL4182135 0.86 NPC1 (0.60) NPC1RAB9ALMNAPLAAT3PLAAT5
SCHEMBL4181746 0.85 SMN1; SMN2 (0.62) NPC1RAB9APLAAT3PLAAT5PLAAT2
SCHEMBL4181737 0.82 NPC1 (0.57) NPC1RAB9ALMNAPLAAT5PLAAT4
SCHEMBL4181940 0.81 NPC1 (0.47) NPC1RAB9ALMNAPLAAT3PLAAT5
SCHEMBL4181751 0.81 PYGL (0.59) PYGLPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4185070 0.79 PYGL (0.59) PYGLPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4171878 0.78 NPC1 (0.56) NPC1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL4186377 0.77 PLAAT3 (0.49) PYGLNPC1LMNAPLAAT3PLAAT5
SCHEMBL4181732 0.77 PLAAT3 (0.49) PYGLPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4173472 0.77 PYGL (0.60) PYGLPLAAT3PLAAT5PLAAT2PLAAT4

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 PYGL 422/4885NPC1 2016/4885RAB9A 4846/4885

“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.