SCHEMBL6540319

SCHEMBL6540319

Oc1cccc(Sc2ccc(CCNCc3ccccc3)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
BCHE P06276 7/20 0.51
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
DRD3 P35462 1/20 0.49
SLC2A1 P11166 1/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MPO P05164 2/20 0.46
NPC1 O15118 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45

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
SCHEMBL6539985 0.92 GAA (0.51) GAAMAPTBCHEDRD2DRD4
SCHEMBL6540901 0.87 BCHE (0.65) GAAMAPTBCHEDRD4SLC2A1
SCHEMBL27595953 0.84 GAA (0.59) GAAMAPTBCHESLC2A1KDM4E
SCHEMBL6540592 0.82 SMN1; SMN2 (0.54) GAAMAPTBCHEDRD2DRD4
SCHEMBL9328648 0.81 GAA (0.63) GAAMAPTBCHEDRD2DRD4
SCHEMBL6540001 0.81 KDM4E (0.63) GAAMAPTBCHEKDM4EALDH1A1
SCHEMBL6540220 0.78 GAA (0.56) GAAMAPTBCHEDRD2DRD4
SCHEMBL3695539 0.77 BCHE (0.77) GAAMAPTBCHEDRD4SLC2A1
SCHEMBL580289 0.77 BCHE (0.77) GAAMAPTBCHEDRD4SLC2A1
SCHEMBL6540510 0.76 BCHE (0.57) GAABCHESLC2A1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 US disclosed
US-20040106653-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 US disclosed
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 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 (2 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 GAA 3888/4885MAPT 4502/4885BCHE 2596/4885
US-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 GAA 3654/4885MAPT 4534/4885BCHE 751/4885

“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.