SCHEMBL19354532

SCHEMBL19354532

N[C@@H](c1ccccc1)[C@H](O)c1nnn[nH]1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.43
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2C P18825 1/20 0.40
LMNA P02545 1/20 0.40
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 2/20 0.39
AOC3 Q16853 4/20 0.38
F2 P00734 1/20 0.34
BCAT2 O15382 1/20 0.34

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
SCHEMBL19354585 0.83 GAA (0.36) AOC3
SCHEMBL9384051 0.78 DPP4 (0.39) DPP4F2
SCHEMBL9090443 0.78 SMN1; SMN2 (0.46) KDM4EL3MBTL1LMNAALDH1A1AOC3
Hydrochloric Acid SCHEMBL9985742 0.77 DPP4 (0.38) DPP4ALDH1A1F2
SCHEMBL22885976 0.76 CYP1A2 (0.42)
SCHEMBL19354588 0.74 TSHR (0.38) L3MBTL1ALDH1A1
SCHEMBL11531757 0.74 KMT2A (0.35) DPP4KDM4EL3MBTL1ALDH1A1F2
SCHEMBL7510243 0.74 KMT2A (0.44) DPP4KDM4EL3MBTL1ALDH1A1F2
SCHEMBL19354497 0.73 CYP1A2 (0.34) KDM4ELMNAALDH1A1
SCHEMBL82461 0.72 DPP4 (0.65) DPP4KDM4EADRA2AADRA2CLMNA

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-9765064-B1 Alpha-hydroxy-beta-azido-tetrazoles CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-09-19 US disclosed
US-20170260171-A1 ALPHA-HYDROXY-BETA-AZIDO-TETRAZOLES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-09-14 US 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-20170260171-A1 ALPHA-HYDROXY-BETA-AZIDO-TETRAZOLES CYP8B1, HSD3B1, HSD17B1 DPP4 2161/4885KDM4E 2351/4885L3MBTL1 4554/4885

“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.