SCHEMBL6540682

SCHEMBL6540682

COc1ccc(Sc2ccc(CCNCc3ccccc3)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.72
KMT2A Q03164 3/20 0.72
ATM Q13315 1/20 0.72
GAA P10253 2/20 0.72
BCHE P06276 7/20 0.71
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
NPC1 O15118 1/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA4 P22748 1/20 0.56
CA9 Q16790 1/20 0.56
MAPT P10636 1/20 0.56
CHRM2 P08172 1/20 0.53
LTA4H P09960 1/20 0.52
EPHX2 P34913 1/20 0.52

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
SCHEMBL12131075 0.91 MEN1 (0.85) MEN1KMT2AATMGAABCHE
SCHEMBL10032816 0.91 MEN1 (0.85) MEN1KMT2AATMGAABCHE
SCHEMBL6540716 0.90 HTT (0.61) MEN1KMT2AATMGAABCHE
SCHEMBL6540970 0.89 BCHE (0.59) MEN1KMT2AATMGAABCHE
SCHEMBL6540001 0.88 KDM4E (0.63) MEN1KMT2AATMGAABCHE
SCHEMBL6540510 0.84 BCHE (0.57) MEN1KMT2AATMGAABCHE
SCHEMBL4614753 0.83 MEN1 (0.71) MEN1KMT2AATMGAABCHE
SCHEMBL6539074 0.82 KMT2A (0.53) MEN1KMT2AATMGAABCHE
SCHEMBL9520509 0.82 MEN1 (0.71) MEN1KMT2AATMGAABCHE
SCHEMBL6552032 0.82 MEN1 (0.71) MEN1KMT2AATMGAABCHE

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 MEN1 4140/4885KMT2A 432/4885ATM 2195/4885
US-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 MEN1 4031/4885KMT2A 505/4885ATM 3328/4885

“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.