SCHEMBL3781297

SCHEMBL3781297

O=C(O)C1CCCCC1CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 13/20 0.56
NFE2L2 Q16236 4/20 0.56
ATM Q13315 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MMP2 P08253 2/20 0.49
MMP3 P08254 2/20 0.49
MMP9 P14780 2/20 0.49
MMP13 P45452 2/20 0.49
MMP1 P03956 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
TRPA1 O75762 2/20 0.47

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
SCHEMBL3787721 0.97 KEAP1 (0.56) KEAP1NFE2L2ATML3MBTL1MMP2
SCHEMBL3782967 0.91 MMP2 (0.54) KEAP1NFE2L2ATML3MBTL1MMP2
SCHEMBL3781516 0.83 KMT2A (0.46) KEAP1NFE2L2ATML3MBTL1CYP1A2
SCHEMBL5407790 0.81 CYP2C19 (0.51) KEAP1NFE2L2ATML3MBTL1MMP2
SCHEMBL5407785 0.81 CYP2C19 (0.51) KEAP1NFE2L2ATML3MBTL1MMP2
SCHEMBL5413316 0.81 CYP2C19 (0.51) KEAP1NFE2L2ATML3MBTL1MMP2
SCHEMBL3772459 0.80 CYP1A2 (0.45) KEAP1NFE2L2ATML3MBTL1CYP1A2
SCHEMBL3777041 0.79 CA12 (0.47) KEAP1NFE2L2ATML3MBTL1MMP2
SCHEMBL14933990 0.78 KEAP1 (0.64) KEAP1NFE2L2ATML3MBTL1
SCHEMBL16007492 0.78 KEAP1 (0.64) KEAP1NFE2L2ATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324305-A1 PRODUCTION METHOD OF POLYCYCLIC LACTAMS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-23 US disclosed
US-20090118519-A1 Production Method of Polycyclic Lactams SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-07 US disclosed
EP-2014647-A1 PROCESS FOR PRODUCING POLYCYCLIC LACTAM Sumitomo Chemical Company, Limited (JP) 2009-01-14 EP 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 (2 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-20090118519-A1 Production Method of Polycyclic Lactams MRPL21, COASY, ASNS KEAP1 2640/4885NFE2L2 2031/4885ATM 3172/4885
US-20100324305-A1 PRODUCTION METHOD OF POLYCYCLIC LACTAMS COASY, MRPL21, ASNS KEAP1 2539/4885NFE2L2 1980/4885ATM 3236/4885

“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.