SCHEMBL4181746

SCHEMBL4181746

O=C(C#Cc1cccs1)NCCc1cccc(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.62
NPC1 O15118 6/20 0.62
RAB9A P51151 6/20 0.62
HTT P42858 1/20 0.62
ALDH1A1 P00352 5/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
HPGD P15428 1/20 0.51
TAAR1 Q96RJ0 2/20 0.49
CNR1 P21554 1/20 0.49
PLAAT3 P53816 2/20 0.48
PLAAT5 Q96KN8 2/20 0.48
PLAAT2 Q9NWW9 2/20 0.48
PLAAT4 Q9UL19 2/20 0.48
GAA P10253 1/20 0.46
THRB P10828 1/20 0.45
GLA P06280 1/20 0.45
MAPT P10636 1/20 0.44

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) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL4181355 0.85 PYGL (0.49) SMN1; SMN2NPC1RAB9AHTTKMT2A
SCHEMBL4181737 0.84 NPC1 (0.57) SMN1; SMN2NPC1RAB9AHPGDPLAAT5
SCHEMBL4179866 0.82 ALDH1A1 (0.56) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL4173101 0.81 ALDH1A1 (0.61) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL4181881 0.81 ALDH1A1 (0.54) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL4171364 0.79 CNR1 (0.53) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL4181940 0.79 NPC1 (0.47) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL4182330 0.78 ALDH1A1 (0.52) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL4178880 0.78 ALDH1A1 (0.51) SMN1; SMN2NPC1RAB9AHTTALDH1A1

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 SMN1; SMN2 4869/4885NPC1 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.