SCHEMBL4185839

SCHEMBL4185839

CC(C)(C)c1ccc(C#CC(=O)NCCc2c[nH]c3ccccc23)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.66
CCND1 P24385 3/20 0.66
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
TSHR P16473 2/20 0.57
LMNA P02545 1/20 0.57
CYP1A2 P05177 1/20 0.57
PKM P14618 1/20 0.57
CYP2C19 P33261 1/20 0.57
BLM P54132 1/20 0.57
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
TRPV1 Q8NER1 2/20 0.54
SIRT1 Q96EB6 1/20 0.54
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
CYP3A4 P08684 1/20 0.53
ALOX15 P16050 1/20 0.53
MAPK1 P28482 1/20 0.53

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
SCHEMBL4170481 0.88 SIRT1 (0.66) CDK4CCND1MEN1KMT2ATSHR
SCHEMBL19823623 0.88 MEN1 (0.63) CDK4CCND1MEN1KMT2ATSHR
SCHEMBL4185803 0.83 MEN1 (0.61) MEN1KMT2ATSHRLMNACYP1A2
SCHEMBL4173426 0.82 MAPT (0.64) CDK4CCND1MEN1KMT2ATSHR
SCHEMBL4177872 0.81 MEN1 (0.58) MEN1KMT2ATSHRLMNACYP1A2
SCHEMBL4185176 0.81 MAPT (0.54) MEN1KMT2ATSHRLMNACYP1A2
SCHEMBL4173493 0.79 MAPT (0.64) CDK4CCND1MEN1KMT2ATSHR
SCHEMBL4185141 0.78 KMT2A (0.62) CDK4CCND1MEN1KMT2ATSHR
SCHEMBL4179552 0.78 RAB9A (0.63) KMT2ALMNACYP1A2CYP2C19NPC1
SCHEMBL4181459 0.77 MEN1 (0.57) MEN1KMT2ATSHRLMNACYP1A2

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 CDK4 2729/4885CCND1 3337/4885MEN1 3427/4885

“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.