SCHEMBL115999

SCHEMBL115999

C=Cc1c(F)c(F)cc2c(=O)c(C(=O)OCC)cn(C3CC3)c12

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.60
KMT2A Q03164 1/20 0.51
STAT3 P40763 1/20 0.49
TOP2A P11388 6/20 0.47
TOP2B Q02880 6/20 0.47
KCNH2 Q12809 3/20 0.45
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
POLB P06746 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41

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
SCHEMBL7127445 0.92 ADRB2 (0.62) ADRB2KMT2ASTAT3TOP2ATOP2B
SCHEMBL114733 0.92 ADRB2 (0.60) ADRB2KMT2ASTAT3TOP2ATOP2B
SCHEMBL12825346 0.91 ADRB2 (0.59) ADRB2KMT2ASTAT3TOP2ATOP2B
SCHEMBL29492858 0.89 ADRB2 (0.68) ADRB2KMT2ASTAT3TOP2ATOP2B
SCHEMBL2844967 0.89 ADRB2 (0.68) ADRB2KMT2ASTAT3TOP2ATOP2B
SCHEMBL143605 0.87 ADRB2 (0.64) ADRB2KMT2ASTAT3TOP2ATOP2B
SCHEMBL115991 0.86 ADRB2 (0.62) ADRB2KMT2ASTAT3TOP2ATOP2B
SCHEMBL7575069 0.85 ADRB2 (0.61) ADRB2KMT2ASTAT3TOP2ATOP2B
SCHEMBL9188190 0.85 ADRB2 (0.61) ADRB2KMT2ASTAT3TOP2ATOP2B
SCHEMBL10627001 0.85 ADRB2 (0.66) ADRB2KMT2ASTAT3TOP2ATOP2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991016312-A1 QUINOLINECARBOXYLIC ACID ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1991-10-31 WO claimed
US-5047538-A Quinolinecarboxylic acid antibacterial agents WARNER-LAMBERT COMPANY (US) 1991-09-10 US claimed
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 US disclosed
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 US disclosed
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 US disclosed
EP-2250171-A2 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS Achaogen, Inc. (US) 2010-11-17 EP disclosed
WO-2009137130-A2 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2009-11-12 WO disclosed
WO-2009137130-A2 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2009-11-12 WO disclosed
US-5468742-A Antibacterial agents, feed additives BAYER AKTIENGESELLSCHAFT (DE) 1995-11-21 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-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS RECQL, BLVRB, NQO2 ADRB2 702/4885KMT2A 4780/4885STAT3 4808/4885

“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.