SCHEMBL3776447

SCHEMBL3776447

O=C(O)C1C(CN2C(=O)c3ccccc3C2=O)C1(Cl)Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MMP2 P08253 3/20 0.41
MMP3 P08254 3/20 0.41
MMP9 P14780 3/20 0.41
MMP13 P45452 3/20 0.41
MMP1 P03956 2/20 0.41
CASP3 P42574 1/20 0.41
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KEAP1 Q14145 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL3781377 0.83 HSD17B10 (0.43) CA12CA9KMT2AALDH1A1KDM4E
SCHEMBL3775769 0.82 CA12 (0.47) CA12CA9KMT2AMEN1MMP2
SCHEMBL3774621 0.82 CA12 (0.47) CA12CA9KMT2AMEN1MMP2
SCHEMBL3781253 0.82 CA12 (0.47) CA12CA9KMT2AMEN1MMP2
SCHEMBL15541606 0.78 CYP1A2 (0.43) CA12CA9CASP3ALDH1A1CYP1A2
SCHEMBL15541607 0.78 CYP1A2 (0.43) CA12CA9CASP3ALDH1A1CYP1A2
Potassium Ion SCHEMBL3773406 0.71 CA12 (0.41) CA12CA9KMT2AMEN1ALDH1A1
SCHEMBL3772372 0.70 HSD17B10 (0.44) CA12CA9KMT2AALDH1A1KDM4E
SCHEMBL15602019 0.69 CYP1A2 (0.44) CA12CA9ALDH1A1CYP1A2CYP2C9
SCHEMBL30433792 0.69 CA12 (0.42) CA12CA9KMT2AMEN1CASP3

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 CA12 786/4885CA9 216/4885KMT2A 1271/4885
US-20100324305-A1 PRODUCTION METHOD OF POLYCYCLIC LACTAMS COASY, MRPL21, ASNS CA12 784/4885CA9 221/4885KMT2A 1135/4885

“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.