SCHEMBL5529068

SCHEMBL5529068

N#Cc1ccccc1N1CCN(c2c(F)cc3c(=O)ccn(-c4ccc(CN5CCCC5)c(F)c4)c3c2Cl)CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
MTOR P42345 2/20 0.37
RPTOR Q8N122 2/20 0.37
MLST8 Q9BVC4 2/20 0.37
HTR7 P34969 1/20 0.36
DPP4 P27487 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
DRD2 P14416 4/20 0.34
DRD4 P21917 4/20 0.34
DRD3 P35462 4/20 0.34
KMT2A Q03164 1/20 0.34
RORC P51449 2/20 0.34
AOC3 Q16853 1/20 0.34
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRM4 P08173 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
SCHEMBL5530837 0.88 MTOR (0.39) MTORRPTORMLST8HTR7HTR1A
SCHEMBL5530846 0.88 DRD2 (0.39) TP53DPP4HTR1ADRD2DRD4
SCHEMBL5528886 0.86 ALDH1A1 (0.49) MTORRPTORMLST8HTR7KMT2A
SCHEMBL5525288 0.85 KMT2A (0.45) TP53DRD2DRD4DRD3KMT2A
SCHEMBL5525433 0.85 SMN1; SMN2 (0.42) DRD2DRD4DRD3KMT2AKDM4E
SCHEMBL5529004 0.85 PARP1 (0.38) TP53HTR7HTR1AADRA1AADRA1B
SCHEMBL5529697 0.77 DRD2 (0.38) MTORRPTORMLST8HTR7HTR1A
SCHEMBL5527455 0.77 ALDH1A1 (0.47) KMT2AKDM4E
SCHEMBL5529630 0.75 ALDH1A1 (0.42) MTORRPTORMLST8DRD2KDM4E
SCHEMBL5525690 0.75 PARP1 (0.40) TP53ADRA1AADRA1BDRD2DRD4

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-20070213339-A1 Quinolone Carboxylic Acid Derivatives for Treatment of Hyperproliferative Conditions BAYER PHARMACEUTICALS CORPORATION (US) 2007-09-13 US claimed

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-20070213339-A1 Quinolone Carboxylic Acid Derivatives for Treatment of Hyperproliferative Conditions TP53, RB1, HRAS TP53 1/4885MTOR 731/4885RPTOR 1677/4885

“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.