SCHEMBL6370719

SCHEMBL6370719

COc1c(N2CCC(O)(CO)CC2)ccc2c(=O)n(N)c(=O)n(C3CC3)c12

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.38
TNF P01375 5/20 0.34
LITAF Q99732 5/20 0.34
CYP3A4 P08684 1/20 0.34
RBP1 P09455 1/20 0.32
PIK3CA P42336 1/20 0.30
MTOR P42345 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
SCHEMBL6377172 0.91 KCNH2 (0.39) KCNH2TNFLITAFCYP3A4PIK3CA
SCHEMBL6376752 0.90 KCNH2 (0.36) KCNH2TNFLITAFCYP3A4
SCHEMBL6370842 0.87 TNF (0.30) TNFLITAF
SCHEMBL6371393 0.83 ALDH1A1 (0.36) KCNH2TNFLITAFCYP3A4
SCHEMBL6371670 0.83 KCNH2 (0.43) KCNH2TNFLITAFCYP3A4
SCHEMBL6371181 0.83 KCNH2 (0.35) KCNH2TNFLITAFCYP3A4
SCHEMBL6377186 0.82 KCNH2 (0.45) KCNH2TNFLITAFCYP3A4
SCHEMBL6371152 0.82 KCNH2 (0.41) KCNH2
SCHEMBL6372031 0.81 KCNH2 (0.37) KCNH2CYP3A4RBP1PIK3CAMTOR
SCHEMBL6370135 0.81 KCNH2 (0.45) KCNH2TNFLITAFCYP3A4

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-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

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 2194/4885TNF 2496/4885LITAF 275/4885

“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.