SCHEMBL6411491

SCHEMBL6411491

Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCC2(CC1)CC(C(=O)O)=NO2

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.61
MEN1 O00255 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
KDM4E B2RXH2 2/20 0.56
POLB P06746 1/20 0.56
NPSR1 Q6W5P4 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
TSHR P16473 3/20 0.52
GAA P10253 3/20 0.51
ATM Q13315 1/20 0.51
LMNA P02545 3/20 0.49
HTT P42858 1/20 0.49
EPAS1 Q99814 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48

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
SCHEMBL2402740 0.94 KMT2A (0.66) KMT2AMEN1TDP1KDM4EPOLB
SCHEMBL6437992 0.87 KMT2A (0.59) KMT2AMEN1TDP1KDM4EPOLB
SCHEMBL2400990 0.83 POLB (0.57) KMT2AMEN1TDP1KDM4EPOLB
SCHEMBL2401091 0.82 KMT2A (0.57) KMT2AMEN1TDP1KDM4EPOLB
SCHEMBL6415762 0.81 KMT2A (0.64) KMT2AMEN1TDP1KDM4EPOLB
SCHEMBL2577132 0.79 KMT2A (0.56) KMT2AMEN1TDP1KDM4EPOLB
SCHEMBL2400917 0.77 RAB9A (0.49) KMT2AMEN1KDM4EPOLBCYP2C9
SCHEMBL6410191 0.76 POLB (0.53) KMT2AMEN1TDP1KDM4EPOLB
SCHEMBL6409626 0.76 HPGD (0.41) ALDH1A1
SCHEMBL2400070 0.75 PKM (0.49) KMT2AMEN1KDM4EPOLBALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401841-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP claimed
US-8557796-B2 Substituted 1-oxa-2,8-diaza-spiro [4,5] dec-2-ene derivatives and related treatment methods GRUENENTHAL GMBH (DE) 2013-10-15 US disclosed
EP-1401841-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP disclosed
US-20040192916-A1 Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods GRUENENTHAL GMBH (DE) 2004-09-30 US 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-20040192916-A1 Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods SULT1E1, CYP4B1, CYP3A4 KMT2A 3833/4885MEN1 2802/4885TDP1 3897/4885

“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.