SCHEMBL19328554

SCHEMBL19328554

[N-]=[N+]=NC(c1ccc2ccccc2c1)C(O)c1nnn[nH]1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.37
SLC6A2 P23975 14/20 0.36
SLC6A4 P31645 14/20 0.36
SLC6A3 Q01959 14/20 0.36
KCNH2 Q12809 10/20 0.36
CYP2D6 P10635 10/20 0.36
CYP3A4 P08684 9/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
HIF1A Q16665 1/20 0.36
ATM Q13315 1/20 0.33

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
SCHEMBL19342871 1.00 UGT2B7 (0.37) UGT2B7SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL19342872 1.00 UGT2B7 (0.37) UGT2B7SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL19342870 0.84 KDM4E (0.34)
SCHEMBL19328584 0.84 KDM4E (0.34)
SCHEMBL19342869 0.84 KDM4E (0.34)
SCHEMBL19328588 0.72 TSHR (0.33) TSHR
SCHEMBL19354584 0.65 HTR2A (0.45) SLC6A4CYP2D6MEN1KMT2ACYP1A2
SCHEMBL19354510 0.65 HTR2A (0.45) SLC6A4CYP2D6MEN1KMT2ACYP1A2
SCHEMBL19435696 0.65 UGT2B7 (0.52) UGT2B7CYP2D6MEN1KMT2ACYP1A2
SCHEMBL30440392 0.65 UGT2B7 (0.52) UGT2B7CYP2D6MEN1KMT2ACYP1A2

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 4 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 claimed
US-20170260171-A1 ALPHA-HYDROXY-BETA-AZIDO-TETRAZOLES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-09-14 US claimed
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 UGT2B7 44/4885SLC6A2 3947/4885SLC6A4 3252/4885

“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.