SCHEMBL115248

SCHEMBL115248

O=C(O)c1cn(C2CC2)c2c3c(c(F)cc2c1=O)N1CCCC1CCO3

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 2/20 0.53
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 5/20 0.52
HPGD P15428 4/20 0.52
HSD17B10 Q99714 4/20 0.52
POLB P06746 3/20 0.52
OPRM1 P35372 2/20 0.52
CHRM2 P08172 1/20 0.52
CHRM1 P11229 1/20 0.52
OPRD1 P41143 1/20 0.52
ALB P02768 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
TUBB4A P04350 1/20 0.51
TUBB P07437 1/20 0.51
TUBA3C P0DPH7 1/20 0.51
TUBA1B P68363 1/20 0.51
TUBA4A P68366 1/20 0.51
TUBB4B P68371 1/20 0.51
TUBB3 Q13509 1/20 0.51
TUBB2A Q13885 1/20 0.51

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
SCHEMBL116382 0.91 AADAT (0.58) AADATALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9750374 0.91 AADAT (0.58) AADATALDH1A1KDM4EHPGDHSD17B10
SCHEMBL12825263 0.89 AADAT (0.54) AADATALDH1A1KDM4EHPGDHSD17B10
SCHEMBL12825633 0.87 ALDH1A1 (0.50) AADATALDH1A1KDM4EHPGDHSD17B10
SCHEMBL12836940 0.87 ALDH1A1 (0.50) AADATALDH1A1KDM4EHPGDHSD17B10
SCHEMBL13625711 0.87 ADRB2 (0.50) AADATALDH1A1KDM4EHPGDHSD17B10
SCHEMBL12836652 0.86 ALDH1A1 (0.51) AADATALDH1A1KDM4EHPGDHSD17B10
SCHEMBL117484 0.84 ALDH1A1 (0.56) AADATALDH1A1KDM4EHPGDHSD17B10
SCHEMBL116011 0.84 ALDH1A1 (0.56) AADATALDH1A1KDM4EHPGDHSD17B10
SCHEMBL143404 0.83 LMNA (0.55) ALDH1A1KDM4EHPGDHSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2009137130-A2 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2009-11-12 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 (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 AADAT 3106/4885ALDH1A1 1678/4885KDM4E 2563/4885

“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.