SCHEMBL19354535

SCHEMBL19354535

O[C@@H](Cc1ccccc1)c1nnn[nH]1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.43
CYP1A2 P05177 2/20 0.40
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TRPA1 O75762 2/20 0.38
CPA3 P15088 1/20 0.38
FOLH1 Q04609 1/20 0.38
EPHX1 P07099 1/20 0.38
ALPI P09923 1/20 0.36
PKM P14618 1/20 0.36
PTGS1 P23219 1/20 0.36
XIAP P98170 1/20 0.36
SLC7A5 Q01650 1/20 0.36

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
SCHEMBL19354261 1.00 IDO1 (0.43) IDO1CYP1A2KDM4EL3MBTL1TRPA1
SCHEMBL11528941 0.85 CYP1A2 (0.42) IDO1CYP1A2CPA3FOLH1EPHX1
SCHEMBL6000698 0.83 FAAH (0.41) TRPA1
SCHEMBL19354511 0.82 SLC6A4 (0.41) IDO1CYP1A2L3MBTL1
SCHEMBL19354586 0.82 SLC6A4 (0.41) IDO1CYP1A2L3MBTL1
SCHEMBL22885976 0.82 CYP1A2 (0.42) CYP1A2EPHX1ALPIPKMPTGS1
SCHEMBL6002903 0.82 FAAH (0.46) TRPA1
SCHEMBL19354510 0.80 HTR2A (0.45) CYP1A2
SCHEMBL19354584 0.80 HTR2A (0.45) CYP1A2
SCHEMBL6002777 0.80 FAAH (0.48) TRPA1

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 IDO1 1816/4885CYP1A2 43/4885KDM4E 2351/4885

“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.