SCHEMBL4174070

SCHEMBL4174070

O=C(C#Cc1cccc(Cl)c1)NCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
MEN1 O00255 3/20 0.55
MAPT P10636 3/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
ALDH1A1 P00352 8/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
HPGD P15428 3/20 0.54
PLAAT3 P53816 2/20 0.54
PLAAT5 Q96KN8 2/20 0.54
PLAAT2 Q9NWW9 2/20 0.54
PLAAT4 Q9UL19 2/20 0.54
PYGL P06737 1/20 0.52
KCNH2 Q12809 1/20 0.51
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
HTT P42858 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
PTGES O14684 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
SCHEMBL4179866 0.93 ALDH1A1 (0.56) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL4173101 0.92 ALDH1A1 (0.61) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL4168536 0.89 NPC1 (0.48) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL4185879 0.89 PYGL (0.49) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL4175901 0.89 PYGL (0.49) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL4186379 0.89 ALDH1A1 (0.52) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL4183641 0.88 CNR1 (0.54) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL4170422 0.88 CNR1 (0.54) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL4181881 0.87 ALDH1A1 (0.54) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL4176134 0.86 CA12 (0.53) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2

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 KMT2A 2691/4885MEN1 3427/4885MAPT 2674/4885

“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.