SCHEMBL20549488

SCHEMBL20549488

COC(=O)c1cc(F)c(Br)c(CCC(C)NC(=O)OC(C)(C)C)c1N

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 12/20 0.38
TRPA1 O75762 1/20 0.33
CA2 P00918 3/20 0.32
CA1 P00915 2/20 0.32
CA9 Q16790 2/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CTSK P43235 1/20 0.32
CA12 O43570 1/20 0.32

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
SCHEMBL20549477 0.88 SOS1 (0.38) AAK1TRPA1CA2CA1CA7
SCHEMBL20549221 0.76 AAK1 (0.36) AAK1TRPA1CTSK
SCHEMBL20551812 0.76 AAK1 (0.36) AAK1TRPA1CTSK
SCHEMBL25105229 0.73 KDM4E (0.41)
SCHEMBL30786853 0.73 CTSS (0.40) AAK1TRPA1CTSK
SCHEMBL29765098 0.71 AAK1 (0.48) AAK1TRPA1CA2CA1CA9
SCHEMBL24610138 0.71 AAK1 (0.48) AAK1TRPA1CA2CA1CA9
SCHEMBL20549365 0.71 AAK1 (0.38) AAK1TRPA1CTSK
SCHEMBL20549367 0.71 AAK1 (0.38) AAK1TRPA1CTSK
SCHEMBL26093060 0.69 KDM4E (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180318311-A1 TRICYCLIC 2-QUINOLINONES AS ANTIBACTERIALS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2018-11-08 US disclosed
WO-2018203302-A1 TRICYCLIC 2-QUINOLINONES AS ANTIBACTERIALS NOVARTIS AG (CH) 2018-11-08 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-20180318311-A1 TRICYCLIC 2-QUINOLINONES AS ANTIBACTERIALS TOP1, TOP2A, TOP2B AAK1 4067/4885TRPA1 4156/4885CA2 988/4885

“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.