SCHEMBL19354585

SCHEMBL19354585

N[C@@H](c1ccc(Cl)cc1)[C@H](O)c1nnn[nH]1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
ADRB2 P07550 1/20 0.36
HPGD P15428 1/20 0.33
AOC3 Q16853 1/20 0.33
CYP19A1 P11511 3/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
MEN1 O00255 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
FFAR2 O15552 1/20 0.30

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
SCHEMBL19354532 0.83 DPP4 (0.43) AOC3
SCHEMBL15989837 0.74 ADRB2 (0.50) GAAADRB2HPGDAOC3SLC6A2
SCHEMBL15989839 0.74 ADRB2 (0.50) GAAADRB2HPGDAOC3SLC6A2
SCHEMBL24645195 0.74 ADRB2 (0.50) GAAADRB2HPGDAOC3SLC6A2
SCHEMBL19598258 0.74 ADRB2 (0.50) GAAADRB2HPGDAOC3SLC6A2
SCHEMBL19328580 0.74 GAA (0.32) GAA
SCHEMBL19342874 0.74 GAA (0.32) GAA
SCHEMBL19354586 0.70 SLC6A4 (0.41) GAACYP19A1SLC6A2SLC6A4SLC6A3
SCHEMBL19354511 0.70 SLC6A4 (0.41) GAACYP19A1SLC6A2SLC6A4SLC6A3
SCHEMBL15953077 0.69 CYP19A1 (0.41) GAAADRB2HPGDAOC3CYP19A1

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 GAA 186/4885ADRB2 189/4885HPGD 351/4885

“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.