SCHEMBL13307601

SCHEMBL13307601

O=C(Cn1nnc(-c2ccccc2)c1-c1ccccc1)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
CYP19A1 P11511 1/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
TP53 P04637 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL19933822 0.82 TP53 (0.56) TP53MEN1KMT2A
SCHEMBL13307565 0.81 POLB (0.58) CYP1A2CYP2C9CYP2C19L3MBTL1MEN1
SCHEMBL19926859 0.80 PTGS2 (0.54)
SCHEMBL19933823 0.79 KDM4E (0.43) ALDH1A1
SCHEMBL19933819 0.77 TP53 (0.52) TP53
SCHEMBL5966710 0.77 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19CYP19A1ALDH1A1
SCHEMBL13307642 0.76 POLB (0.52) CYP19A1L3MBTL1MEN1KMT2A
SCHEMBL19933959 0.76 TP53 (0.52) TP53KMT2A
SCHEMBL13307632 0.76 MAPT (0.55) L3MBTL1MEN1KMT2A
SCHEMBL5326323 0.75 CYP1A2 (0.55) CYP1A2CYP2C9CYP2C19ALDH1A1MAPK1

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-8293773-B2 1, 2, 3-triazole derivatives as new cannabinoid-1 receptor antagonists NATIONAL TSING HUA UNIVERSITY (TW) 2012-10-23 US disclosed
US-8293773-B2 1, 2, 3-triazole derivatives as new cannabinoid-1 receptor antagonists NATIONAL TSING HUA UNIVERSITY (TW) 2012-10-23 US disclosed
US-20100144734-A1 1, 2, 3-Triazole derivatives as new cannabinoid-1 receptor antagonists NATIONAL TSING HUA UNIVERSITY (TW) 2010-06-10 US disclosed
US-20100144734-A1 1, 2, 3-Triazole derivatives as new cannabinoid-1 receptor antagonists NATIONAL TSING HUA UNIVERSITY (TW) 2010-06-10 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-20100144734-A1 1, 2, 3-Triazole derivatives as new cannabinoid-1 receptor antagonists CNR1, CNR2, GPR3 CYP1A2 807/4885CYP2C9 906/4885CYP2C19 704/4885

“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.