SCHEMBL4700076

SCHEMBL4700076

C=CCc1n[n+]([O-])c2ccccc2[n+]1[O-]

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HBB P68871 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
CASP6 P55212 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL5461338 0.77 CA12 (0.40) CA12CA1CA2CA9KDM4E
SCHEMBL8683462 0.75 CA12 (0.39) CA12CA1CA2CA9MEN1
SCHEMBL5455141 0.75 CA12 (0.39) CA12CA1CA2CA9KDM4E
SCHEMBL5452741 0.75 CA12 (0.36) CA12CA1CA2CA9MEN1
SCHEMBL400031 0.73 ATM (0.40) KDM4EALDH1A1HBBHSD17B10ATM
SCHEMBL11836412 0.68 PRDX1 (0.35) KDM4EALDH1A1HBBHSD17B10SMN1; SMN2
SCHEMBL13084389 0.66 ATM (0.37) CA12CA1CA2CA9MEN1
SCHEMBL6365684 0.66 ATM (0.37) CA12CA1CA2CA9KDM4E
Tirapazamine SCHEMBL29360622 0.66 CA12 (0.39) CA12CA1CA2CA9MEN1
SCHEMBL15008539 0.66 ATM (0.37) CA12CA1CA2CA9MEN1

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
EP-1254122-B1 NOVEL 3-SUBSTITUTED 1,2,4-BENZOTRIAZINES, A METHOD FOR THEIR PRODUCTION AND THE USE THEREOF UFZ LEIPZIGHALLE GMBH (DE) 2008-09-17 EP disclosed
US-20030166651-A1 Novel 3-substituted 1,2,4-benzotriazines, a method for their production and the use thereof UFZ UMWELTFORSCHUNGSZENTRUM LEIPZIG-HALLE GMBH (DE) 2003-09-04 US disclosed
EP-1254122-A2 NOVEL 3-SUBSTITUTED 1,2,4-BENZOTRIAZINES, A METHOD FOR THEIR PRODUCTION AND THE USE THEREOF UFZ-UMWELTFORSCHUNGSZENTRUM Leipzig-Halle GmbH (DE) 2002-11-06 EP disclosed
WO-2001046162-A2 NOVEL 3-SUBSTITUTED 1,2,4-BENZOTRIAZINES, A METHOD FOR THEIR PRODUCTION AND THE USE THEREOF FOR THE TREATMENT AND PROPHYLAXIS OF TUMOURS UFZ UMWELTFORSCHUNGSZENTRUM LEIPZIG-HALLE GMBH (DE) 2001-06-28 WO 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-20030166651-A1 Novel 3-substituted 1,2,4-benzotriazines, a method for their production and the use thereof RYR2, CACNA1I, BRCA1 CA12 2158/4885CA1 1239/4885CA2 79/4885

“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.