SCHEMBL10044304

SCHEMBL10044304

N#CSc1ccc(-c2cc(CN(CC(=O)O)CC(=O)O)nc(CN(CC(=O)O)CC(=O)O)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
GFER P55789 1/20 0.33
POLB P06746 1/20 0.32
CA2 P00918 1/20 0.32
CA5A P35218 1/20 0.32

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
SCHEMBL10014300 0.85 FFAR1 (0.35) ALDH1A1MAPTGFERPOLBCA2
SCHEMBL13267939 0.77 KDM4E (0.40) ALDH1A1MAPT
SCHEMBL12293197 0.76 LTB4R (0.38) ALDH1A1MAPTGFERPOLBCA2
SCHEMBL18674518 0.73
SCHEMBL19177097 0.71 TDP1 (0.43) ALDH1A1MAPTCA2
SCHEMBL8224582 0.69 MAOA (0.43) ALDH1A1MAPTCA2
SCHEMBL18674515 0.68 KMT2A (0.45) MAPT
SCHEMBL8755137 0.68 LTB4R (0.39) ALDH1A1MAPT
SCHEMBL19169724 0.68 HDAC8 (0.37) ALDH1A1MAPTGFERPOLBCA2
SCHEMBL24454439 0.67 MRGPRX4 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120045784-A1 BIOTINIDASE ASSAY Joachim Ngiamas trustee for Joachim Ngiam Trust Fund ABN 2012-02-23 US disclosed
WO-2010106222-A2 BIOTINIDASE ASSAY WALLAC OY (FI) 2010-09-23 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-20120045784-A1 BIOTINIDASE ASSAY BTD, CMBL, JMJD7 ALDH1A1 687/4885MAPT 3994/4885GFER 1885/4885

“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.