SCHEMBL17494200

SCHEMBL17494200

COC(=O)c1cc(F)c(Br)c(C)c1NC1CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 1/20 0.39
OPRK1 P41145 4/20 0.37
POLB P06746 1/20 0.36
BTK Q06187 3/20 0.35
YAP1 P46937 1/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 2/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SOS1 Q07889 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SLC6A3 Q01959 1/20 0.34
PKM P14618 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK14 Q16539 1/20 0.33

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
SCHEMBL17494343 0.85 ROCK2 (0.40) ROCK2ROCK1OPRK1POLBYAP1
SCHEMBL19194821 0.83 ROCK2 (0.37) ROCK2ROCK1OPRK1POLBYAP1
SCHEMBL17494201 0.82 KDM4E (0.40) ROCK2ROCK1OPRK1BTKYAP1
SCHEMBL17494439 0.82 ROCK2 (0.36) ROCK2ROCK1OPRK1POLBBTK
SCHEMBL22128455 0.76 SOS1 (0.43) POLBTSHRGAAALDH1A1SOS1
SCHEMBL17494284 0.76 YAP1 (0.40) OPRK1POLBYAP1HPGDALDH1A1
SCHEMBL17494507 0.76 OPRK1 (0.33) ROCK2ROCK1OPRK1POLB
SCHEMBL17494285 0.75 ROCK2 (0.34) ROCK2ROCK1OPRK1GAA
SCHEMBL17494409 0.75 TAS1R3 (0.37) POLBTSHR
SCHEMBL6169160 0.75 PDE4B (0.45) POLBGAAALDH1A1

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 ROCK2 1635/4885ROCK1 788/4885OPRK1 2374/4885
US-10160726-B2 Quinolone derivatives as antibacterials TOP1, NQO2, TOP2A ROCK2 1635/4885ROCK1 788/4885OPRK1 2374/4885

“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.