SCHEMBL17494409

SCHEMBL17494409

COC(=O)c1c(F)c(F)c(Br)c(C)c1NC1CC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 6/20 0.37
TAS1R1 Q7RTX1 5/20 0.37
TAS1R2 Q8TE23 5/20 0.37
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.37
POLB P06746 1/20 0.33
CHRM4 P08173 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 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
SCHEMBL17494211 0.94 TAS1R3 (0.41) TAS1R3TAS1R1TAS1R2TSHRMAPK1
SCHEMBL17494200 0.75 ROCK2 (0.39) TSHRPOLB
SCHEMBL17494394 0.72 SOS1 (0.40) TAS1R3TAS1R1TAS1R2TSHRMAPK1
SCHEMBL505263 0.72 TSHR (0.52) TSHRMAPK1MAPT
SCHEMBL19478140 0.71 TSHR (0.43) TAS1R3TAS1R1TAS1R2TSHRMAPK1
SCHEMBL17494203 0.70 TAS1R3 (0.31) TAS1R3TAS1R1TAS1R2TSHRMAPK1
SCHEMBL17494303 0.69 LMNA (0.35) TAS1R3TAS1R1TAS1R2TSHRMAPK1
SCHEMBL19200579 0.69 TSHR (0.36) TAS1R3TAS1R1TAS1R2TSHRMAPK1
SCHEMBL19200394 0.69 TSHR (0.35) TAS1R3TAS1R1TAS1R2TSHRMAPK1
SCHEMBL17494284 0.67 YAP1 (0.40) POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10160726-B2 Quinolone derivatives as antibacterials NOVARTIS AG (CH) 2018-12-25 US disclosed
US-20170217897-A1 QUINOLONE DERIVATIVES AS ANTIBACTERIALS WUXI APPTEC (CN) 2017-08-03 US disclosed
US-20170217897-A1 QUINOLONE DERIVATIVES AS ANTIBACTERIALS WUXI APPTEC (CN) 2017-08-03 US disclosed
US-20170217897-A1 QUINOLONE DERIVATIVES AS ANTIBACTERIALS WUXI APPTEC (CN) 2017-08-03 US disclosed
EP-3177593-A1 QUINOLONE DERIVATIVES AS ANTIBACTERIALS Novartis AG (CH) 2017-06-14 EP disclosed
WO-2016020836-A1 QUINOLONE DERIVATIVES AS ANTIBACTERIALS NOVARTIS AG (CH) 2016-02-11 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-20170217897-A1 QUINOLONE DERIVATIVES AS ANTIBACTERIALS TOP1, NQO2, TOP2A TAS1R3 3900/4885TAS1R1 3563/4885TAS1R2 4117/4885
US-10160726-B2 Quinolone derivatives as antibacterials TOP1, NQO2, TOP2A TAS1R3 3900/4885TAS1R1 3563/4885TAS1R2 4117/4885

“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.