SCHEMBL178589

SCHEMBL178589

O=Cc1cn(C2CC2)c2c(C=O)c(F)c(F)cc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 17/20 0.41
TOP2B Q02880 17/20 0.41
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35

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
SCHEMBL14752110 0.83 KCNH2 (0.44) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL1516359 0.83 TOP2A (0.61) TOP2ATOP2BALDH1A1POLBCHRM2
SCHEMBL5908567 0.78 ALDH1A1 (0.43) TOP2ATOP2BALDH1A1
SCHEMBL29576548 0.78 ALDH1A1 (0.43) TOP2ATOP2BALDH1A1
SCHEMBL114733 0.77 ADRB2 (0.60) TOP2ATOP2BALDH1A1POLBCHRM2
SCHEMBL29576915 0.74 ALDH1A1 (0.40) TOP2ATOP2BALDH1A1POLBCHRM2
SCHEMBL29954963 0.74 TOP2A (0.37) TOP2ATOP2BALDH1A1
SCHEMBL22774058 0.74 ALDH1A1 (0.40) TOP2ATOP2BALDH1A1POLBCHRM2
SCHEMBL22774763 0.72 DPP4 (0.38) TOP2ATOP2BCHRM2
SCHEMBL3403068 0.72 TOP2A (0.60) TOP2ATOP2BALDH1A1POLBCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 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 TOP2A 125/4885TOP2B 31/4885ALDH1A1 1678/4885

“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.