SCHEMBL4168901

SCHEMBL4168901

O=C(C#Cc1cc(Cl)cc(Cl)c1)NCCc1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPT P10636 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
CNR1 P21554 1/20 0.53
RAB9A P51151 3/20 0.49
PKM P14618 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
LMNA P02545 2/20 0.47
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.45
NPC1 O15118 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD11B1 P28845 1/20 0.44
PYGL P06737 1/20 0.43

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
SCHEMBL4175879 0.91 LMNA (0.54) KDM4EALDH1A1MAPTNPSR1SMN1; SMN2
SCHEMBL4166971 0.89 SMN1; SMN2 (0.61) KDM4EALDH1A1MAPTNPSR1SMN1; SMN2
SCHEMBL4180099 0.86 RAB9A (0.52) ALDH1A1SMN1; SMN2CNR1RAB9APKM
SCHEMBL4169286 0.85 KMT2A (0.48) ALDH1A1SMN1; SMN2CNR1RAB9AHTT
SCHEMBL4185998 0.82 CNR1 (0.53) KDM4EALDH1A1MAPTNPSR1SMN1; SMN2
SCHEMBL4171592 0.81 HTT (0.52) ALDH1A1MAPTSMN1; SMN2CNR1RAB9A
SCHEMBL4171627 0.81 MAPK1 (0.51) ALDH1A1MAPTSMN1; SMN2CNR1RAB9A
SCHEMBL4171931 0.81 HTT (0.54) SMN1; SMN2CNR1RAB9AHTTKMT2A
SCHEMBL4169116 0.81 ALDH1A1 (0.47) KDM4EALDH1A1SMN1; SMN2RAB9APKM
SCHEMBL4168536 0.81 NPC1 (0.48) KDM4EALDH1A1MAPTSMN1; SMN2CNR1

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 KDM4E 1802/4885ALDH1A1 2932/4885MAPT 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.