SCHEMBL4174166

SCHEMBL4174166

Cc1ccc(C#CC(=O)NCCc2cccs2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.46
NPC1 O15118 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
BRD4 O60885 1/20 0.44
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
ADAM17 P78536 3/20 0.43
LMNA P02545 2/20 0.41
TAAR1 Q96RJ0 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE4B Q07343 1/20 0.41
ATM Q13315 1/20 0.40
PYGL P06737 1/20 0.40
POLB P06746 1/20 0.40
HSD11B1 P28845 1/20 0.39
HPGD P15428 1/20 0.39
CASP3 P42574 1/20 0.39
CASP7 P55210 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
SCHEMBL4168473 0.91 NPC1 (0.46) RAB9ANPC1SMN1; SMN2BRD4MAPT
SCHEMBL4178350 0.90 NPC1 (0.49) RAB9ANPC1SMN1; SMN2BRD4MAPT
SCHEMBL4175180 0.83 NPC1 (0.62) RAB9ANPC1SMN1; SMN2BRD4MAPT
SCHEMBL4180623 0.81 NPC1 (0.45) RAB9ANPC1MAPTALDH1A1TAAR1
SCHEMBL4183694 0.79 NPC1 (0.48) RAB9ANPC1SMN1; SMN2BRD4MAPT
SCHEMBL4171624 0.79 NPC1 (0.50) RAB9ANPC1SMN1; SMN2BRD4MAPT
SCHEMBL4182471 0.78 NPC1 (0.49) RAB9ANPC1SMN1; SMN2BRD4MAPT
SCHEMBL4181587 0.78 NPC1 (0.51) RAB9ANPC1SMN1; SMN2BRD4MAPT
SCHEMBL4175856 0.78 NPC1 (0.54) RAB9ANPC1SMN1; SMN2BRD4MAPT
SCHEMBL4175679 0.78 NPC1 (0.49) RAB9ANPC1SMN1; SMN2MAPTADAM17

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 RAB9A 4846/4885NPC1 2016/4885SMN1; SMN2 4869/4885

“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.