SCHEMBL17494244

SCHEMBL17494244

COC(=O)c1cc(F)c(Br)c(O)c1I

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.51
KDM4E B2RXH2 3/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.41
POLB P06746 1/20 0.41
NFKB1 P19838 1/20 0.41
XDH P47989 1/20 0.41
GFER P55789 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
FUT7 Q11130 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA7 P43166 3/20 0.38
CA9 Q16790 3/20 0.38
CA14 Q9ULX7 3/20 0.38
PDK2 Q15119 1/20 0.38

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
SCHEMBL25044669 0.85 KDM4E (0.44) SOS1KDM4ELMNAGAAPOLB
SCHEMBL17494279 0.83 SOS1 (0.50) SOS1KDM4EGAAPOLBL3MBTL1
SCHEMBL32669454 0.83 SOS1 (0.50) SOS1LMNAGAAPOLBCA12
SCHEMBL30591285 0.81 LMNA (0.44) SOS1KDM4ELMNAGAAPOLB
SCHEMBL17494433 0.80 SOS1 (0.48) SOS1KDM4ECA12CA1CA2
SCHEMBL19195364 0.80 SOS1 (0.48) SOS1KDM4EGAACA12CA1
SCHEMBL17494449 0.80 SOS1 (0.48) SOS1KDM4EGAACA12CA1
SCHEMBL17494393 0.79 SOS1 (0.47) SOS1KDM4ELMNAGAAPOLB
SCHEMBL17494417 0.79 SOS1 (0.47) SOS1KDM4ELMNACA12CA1
SCHEMBL26119798 0.78 ERN1 (0.42) SOS1KDM4ELMNAGAAPOLB

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 8 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-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
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 (3 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 SOS1 2618/4885KDM4E 1964/4885LMNA 1693/4885
US-20180318311-A1 TRICYCLIC 2-QUINOLINONES AS ANTIBACTERIALS TOP1, TOP2A, TOP2B SOS1 3414/4885KDM4E 2521/4885LMNA 1137/4885
US-10160726-B2 Quinolone derivatives as antibacterials TOP1, NQO2, TOP2A SOS1 2618/4885KDM4E 1964/4885LMNA 1693/4885

“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.