SCHEMBL3398377

SCHEMBL3398377

CONc1ccccc1[C]=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.37
KDM4E B2RXH2 2/20 0.33
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.32
ALDH1A1 P00352 2/20 0.32
ALOX15 P16050 2/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
KMT2A Q03164 2/20 0.31
F10 P00742 1/20 0.31

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
SCHEMBL27292754 0.77 CA4 (0.38) GAAKDM4EPOLBATML3MBTL1
SCHEMBL244118 0.76 KDM4E (0.43) GAAKDM4EPOLBATML3MBTL1
SCHEMBL3878150 0.75 KDM4E (0.33) GAAKDM4EL3MBTL1ALDH1A1LMNA
SCHEMBL30235135 0.73 L3MBTL1 (0.31) GAAL3MBTL1
SCHEMBL115146 0.71 CA12 (0.43) GAAKDM4EPOLBL3MBTL1ALDH1A1
SCHEMBL5535596 0.71 IDO1 (0.40) GAAKDM4EPOLBL3MBTL1ALDH1A1
SCHEMBL7273614 0.71 TDP1 (0.41) GAAKDM4EATML3MBTL1ALDH1A1
SCHEMBL27446324 0.71 ALDH1A1 (0.44) GAAKDM4EPOLBL3MBTL1ALDH1A1
SCHEMBL553679 0.69 ALDH1A1 (0.57) KDM4EPOLBL3MBTL1ALDH1A1HPGD
SCHEMBL3031664 0.69 KEAP1 (0.52) GAAKDM4EL3MBTL1ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206704-A1 Pharmaceutically active diazepanes Novartis AG (CH) 2010-07-14 EP claimed
US-20080300237-A1 Pharmaceutically Active Diazepanes OBERHAUSER BERNDT 2008-12-04 US claimed
EP-1874739-A1 PHARMACEUTICALLY ACTIVE DIAZEPANES Novartis AG (CH) 2008-01-09 EP claimed
WO-2006111371-A1 PHARMACEUTICALLY ACTIVE DIAZEPANES NOVARTIS AG (CH) 2006-10-26 WO claimed
EP-2206704-A1 Pharmaceutically active diazepanes Novartis AG (CH) 2010-07-14 EP disclosed
US-20080300237-A1 Pharmaceutically Active Diazepanes OBERHAUSER BERNDT 2008-12-04 US disclosed
EP-1874739-A1 PHARMACEUTICALLY ACTIVE DIAZEPANES Novartis AG (CH) 2008-01-09 EP disclosed
WO-2006111371-A1 PHARMACEUTICALLY ACTIVE DIAZEPANES NOVARTIS AG (CH) 2006-10-26 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-20080300237-A1 Pharmaceutically Active Diazepanes VCAM1, ICAM1, CD69 GAA 2633/4885KDM4E 2996/4885POLB 4451/4885

“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.