SCHEMBL6372190

SCHEMBL6372190

COc1c(N2CCC(CO)C(O)C2)ccc2c(=O)[nH]c(=O)n(C3CC3)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.41
TK1 P04183 2/20 0.35
CYP3A4 P08684 1/20 0.33
TPH1 P17752 1/20 0.33
TPH2 Q8IWU9 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
EEF2K O00418 1/20 0.31
OPRM1 P35372 1/20 0.31
ADORA2A P29274 1/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL6371384 0.93 KCNH2 (0.41) KCNH2TK1CYP3A4TPH1TPH2
SCHEMBL6371429 0.88 TK1 (0.36) KCNH2TK1TPH1TPH2ALDH1A1
SCHEMBL6372572 0.82 KCNH2 (0.44) KCNH2ALDH1A1KMT2AOPRM1KDM4E
SCHEMBL6377933 0.82 KCNH2 (0.43) KCNH2CYP3A4
SCHEMBL6371708 0.81 KCNH2 (0.37) KCNH2CYP3A4TPH1TPH2ALDH1A1
SCHEMBL6378744 0.81 KCNH2 (0.44) KCNH2CYP3A4TPH1TPH2ALDH1A1
SCHEMBL6377844 0.81 KCNH2 (0.41) KCNH2TPH1TPH2ALDH1A1MAPT
SCHEMBL6370154 0.80 TK1 (0.36) KCNH2TK1ALDH1A1KMT2AEEF2K
SCHEMBL6372031 0.80 KCNH2 (0.37) KCNH2CYP3A4TPH1TPH2ALDH1A1
SCHEMBL6371717 0.80 KCNH2 (0.44) KCNH2CYP3A4TPH1TPH2ALDH1A1

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
US-20050096278-A1 Antibacterial agents ELLSWORTH EDMUND L (US) 2005-05-05 US claimed
WO-2005026145-A2 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-03-24 WO claimed
US-20050096278-A1 Antibacterial agents ELLSWORTH EDMUND L (US) 2005-05-05 US disclosed
WO-2005026145-A2 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-03-24 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-20050096278-A1 Antibacterial agents MRPL21, FBL, SDHA KCNH2 2194/4885TK1 758/4885CYP3A4 322/4885

“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.