SCHEMBL3354075

SCHEMBL3354075

CCOC(Cn1c(=O)ccc2ccc(C#N)cc21)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.39
BRPF1 P55201 4/20 0.38
SCN7A Q01118 3/20 0.37
SCN5A Q14524 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN8A Q9UQD0 1/20 0.37
CCR9 P51686 2/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
PKM P14618 1/20 0.35
BRD1 O95696 3/20 0.35
BRPF3 Q9ULD4 2/20 0.35
BRD4 O60885 1/20 0.35
BRD9 Q9H8M2 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL19212765 0.91 SCN7A (0.43) KCNH2BRPF1SCN7ASCN5ASCN2A
SCHEMBL4789761 0.81 KDM4E (0.39) BRPF1PKMBRD1BRPF3BRD4
SCHEMBL18264080 0.80 PKM (0.38) PKMKDM4EALDH1A1TSHRHSD17B10
SCHEMBL27759451 0.78 KCNH2 (0.47) KCNH2BRPF1SCN7ASCN5ASCN2A
SCHEMBL28263347 0.78 KMT2A (0.46) BRPF1PKMBRD4BRD9KDM4E
SCHEMBL19211607 0.77 KCNH2 (0.43) KCNH2BRPF1SCN7ASCN5ASCN2A
SCHEMBL19212833 0.76 KDM4E (0.37) PKMKDM4EALDH1A1HPGD
SCHEMBL19212790 0.74 HTR2A (0.39) BRPF1PKMKDM4EALDH1A1
SCHEMBL19212762 0.73 HSD11B1 (0.38) PKMKDM4E
SCHEMBL3784430 0.73 MAPK8 (0.46) KCNH2SCN7ACCR9MAPK8MAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120270864-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB 2012-10-25 US disclosed
US-20100144717-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-06-10 US disclosed
CN-101611038-A 2-quinolinone and 2-quinoxalinone-derivatives and their use as antibacterial agents ASTRAZENECA AB (SE) 2009-12-23 CN disclosed
EP-2121702-A1 2-QUINOLINONE AND 2-QUINOXALINONE- DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS AstraZeneca AB (SE) 2009-11-25 EP disclosed
WO-2008071961-A1 2-QUINOLINONE AND 2-QUINOXALINONE- DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2008-06-19 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 (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-20100144717-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS NQO2, SDHA, NDUFS5 KCNH2 466/4885BRPF1 2761/4885SCN7A 538/4885
US-20120270864-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS NQO2, SDHA, NDUFS5 KCNH2 466/4885BRPF1 2761/4885SCN7A 538/4885

“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.