SCHEMBL7039646

SCHEMBL7039646

O=[N+]([O-])c1cc(OC[C@@H](O)CN(Cc2ccccc2)[C@H](CO)Cc2ccc(OCc3ccccc3)cc2)ccc1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
MAPT P10636 2/20 0.40
CTSV O60911 3/20 0.39
CTSL P07711 3/20 0.39
ABCB1 P08183 1/20 0.39
MAOB P27338 2/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
MAPK1 P28482 1/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL7244637 0.97 CTSV (0.41) KMT2AMEN1MAPTCTSVCTSL
SCHEMBL7042572 0.94 KMT2A (0.44) KMT2AMEN1MAPTCTSVCTSL
SCHEMBL7040318 0.93 CTSV (0.40) KMT2AMEN1MAPTCTSVCTSL
SCHEMBL7044399 0.93 CTSV (0.40) KMT2AMEN1MAPTCTSVCTSL
SCHEMBL7037727 0.92 GAA (0.43) KMT2AMEN1MAPTCTSVCTSL
SCHEMBL7037102 0.89 MAPT (0.39) KMT2AMEN1MAPTMAOBALDH1A1
SCHEMBL6539571 0.88 GAA (0.50) KMT2AMEN1MAPTMAOBALDH1A1
SCHEMBL7039802 0.87 MEN1 (0.41) KMT2AMEN1MAPTCTSVCTSL
SCHEMBL7246404 0.85 BCHE (0.44) KMT2AMEN1MAPTCTSVCTSL
SCHEMBL7039495 0.85 ALDH1A1 (0.40) KMT2AMEN1MAPTABCB1MAOB

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-20030073846-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-04-17 US disclosed
EP-1292564-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-19 EP disclosed
WO-2001062705-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-30 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-20030073846-A1 Aminoalcohol derivatives XDH, ADH1A, ADRB1 KMT2A 1035/4885MEN1 2582/4885MAPT 3887/4885

“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.