SCHEMBL6540220

SCHEMBL6540220

Oc1ccccc1Sc1ccc(CCNCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
MPO P05164 5/20 0.55
BCHE P06276 3/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA9 Q16790 1/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ATM Q13315 1/20 0.47
SIGMAR1 Q99720 1/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ADRB2 P07550 1/20 0.44

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
SCHEMBL6540901 0.84 BCHE (0.65) GAAMAPTMPOBCHEKDM4E
SCHEMBL6539074 0.80 KMT2A (0.53) GAAMAPTBCHEKDM4EALDH1A1
SCHEMBL6540319 0.78 GAA (0.53) GAAMAPTMPOBCHEKDM4E
SCHEMBL11881258 0.78 GAA (0.91) GAAMAPTMPOBCHEKDM4E
SCHEMBL3272134 0.78 GAA (0.91) GAAMAPTMPOBCHEKDM4E
SCHEMBL580289 0.76 BCHE (0.77) GAAMAPTMPOBCHEKDM4E
SCHEMBL3695539 0.76 BCHE (0.77) GAAMAPTMPOBCHEKDM4E
SCHEMBL27228 0.76 GAA (0.95) GAAMAPTMPOBCHEKDM4E
SCHEMBL580049 0.75 OPRM1 (0.72) GAAMAPTBCHEKDM4EALDH1A1
Hydrochloric Acid SCHEMBL9332806 0.75 GAA (0.78) GAAMAPTMPOBCHEKDM4E

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-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 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 (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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 GAA 3888/4885MAPT 4502/4885MPO 4719/4885

“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.