SCHEMBL5528273

SCHEMBL5528273

O=c1ccn(-c2ccc(CN3CCCC3)nc2)c2c(Cl)c(N3CCN(c4ccc(F)cc4)CC3)c(F)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
DRD2 P14416 5/20 0.36
DRD4 P21917 5/20 0.36
DRD3 P35462 5/20 0.36
SMO Q99835 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA1D P25100 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
SCHEMBL5525437 0.95 DRD4 (0.37) MAPTPOLBKMT2ADRD2DRD4
SCHEMBL5525433 0.85 SMN1; SMN2 (0.42) MAPTPOLBALDH1A1KDM4ELMNA
SCHEMBL5523810 0.84 ALDH1A1 (0.44) MAPTPOLBALDH1A1KDM4ELMNA
SCHEMBL5529697 0.83 DRD2 (0.38) MAPTALDH1A1DRD2DRD4HTR1A
SCHEMBL5530513 0.81 MAPT (0.43) MAPTPOLBALDH1A1KDM4ELMNA
SCHEMBL5528771 0.80 KDM4E (0.44) POLBALDH1A1KDM4ELMNAKMT2A
SCHEMBL5525288 0.79 KMT2A (0.45) MAPTALDH1A1KDM4ELMNAKMT2A
SCHEMBL5522872 0.76 MAPT (0.43) MAPTALDH1A1KDM4EKMT2ADRD2
SCHEMBL5530846 0.76 DRD2 (0.39) KDM4EKMT2ADRD2DRD4DRD3
SCHEMBL5530913 0.76 KDM4E (0.44) POLBALDH1A1KDM4ELMNAGFER

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 MAPT 4397/4885POLB 301/4885ALDH1A1 272/4885

“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.