SCHEMBL6540001

SCHEMBL6540001

COc1cccc(Sc2ccc(CCNCc3ccccc3)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.63
ALDH1A1 P00352 3/20 0.63
NPC1 O15118 1/20 0.63
BCHE P06276 8/20 0.61
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
ATM Q13315 1/20 0.57
GAA P10253 2/20 0.56
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CHRM2 P08172 1/20 0.49
MAPT P10636 1/20 0.49
HTR2A P28223 2/20 0.48
HTR2C P28335 1/20 0.48
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL6540970 0.89 BCHE (0.59) KDM4EALDH1A1NPC1BCHEMEN1
SCHEMBL6540682 0.88 MEN1 (0.72) KDM4EALDH1A1NPC1BCHEMEN1
SCHEMBL6540510 0.84 BCHE (0.57) KDM4EALDH1A1BCHEMEN1KMT2A
SCHEMBL6540627 0.83 BCHE (0.53) KDM4EALDH1A1NPC1BCHEMEN1
SCHEMBL29194688 0.82 BCHE (0.80) KDM4EALDH1A1NPC1BCHEMEN1
SCHEMBL27595953 0.81 GAA (0.59) KDM4EALDH1A1BCHEMEN1KMT2A
SCHEMBL6540319 0.81 GAA (0.53) KDM4EALDH1A1NPC1BCHEMEN1
SCHEMBL12131075 0.79 MEN1 (0.85) KDM4EALDH1A1BCHEMEN1KMT2A
SCHEMBL10032816 0.79 MEN1 (0.85) KDM4EALDH1A1BCHEMEN1KMT2A
SCHEMBL8496610 0.79 BCHE (0.79) KDM4EALDH1A1NPC1BCHEMEN1

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 5 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
WO-2004045610-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-06-03 WO 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 KDM4E 2107/4885ALDH1A1 188/4885NPC1 4399/4885
US-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 KDM4E 994/4885ALDH1A1 168/4885NPC1 4528/4885

“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.