SCHEMBL5452741

SCHEMBL5452741

COCCc1n[n+]([O-])c2ccccc2[n+]1[O-]

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
CASP6 P55212 1/20 0.30
KMT2A Q03164 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
SCHEMBL5455141 0.81 CA12 (0.39) CA12CA1CA2CA9MEN1
SCHEMBL5461338 0.79 CA12 (0.40) CA12CA1CA2CA9MEN1
SCHEMBL8683462 0.77 CA12 (0.39) CA12CA1CA2CA9MEN1
SCHEMBL4700076 0.75 CA12 (0.37) CA12CA1CA2CA9MEN1
SCHEMBL6674365 0.73 CRHBP (0.39) CRHBPCRHR2KEAP1NFE2L2TSHR
SCHEMBL14428389 0.69 SIGMAR1 (0.36) CA12CA1CA2CA9
SCHEMBL6365684 0.69 ATM (0.37) CA12CA1CA2CA9CRHBP
SCHEMBL15008834 0.68 CA12 (0.39) CA12CA1CA2CA9
SCHEMBL6679523 0.68 KDM4E (0.38) CRHBPCRHR2KEAP1NFE2L2TSHR
SCHEMBL6674064 0.67 TSHR (0.45) CRHBPCRHR2KEAP1NFE2L2TSHR

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191372-A1 Dna-targeted benzotriazine 1,4-dioxides and their use in cancer therapy AUCKLAND UNISERVICES LIMITED (NZ) 2007-08-16 US claimed
EP-1044005-A4 1,2,4-BENZOTRIAZINE OXIDES FORMULATIONS SANOFI SYNTHELABO INC (US) 2001-08-08 EP claimed
US-6153610-A 1,2,4-benzotriazine oxides formulations SANOFI-SYNTHELABO INC. (US) 2000-11-28 US claimed
EP-1044005-A1 1,2,4-BENZOTRIAZINE OXIDES FORMULATIONS Sanofi-Synthelabo, Inc. (US) 2000-10-18 EP claimed
WO-1998047512-A1 1,2,4-BENZOTRIAZINE OXIDES FORMULATIONS SANOFI PHARMACEUTICALS, INC. (US) 1998-10-29 WO claimed
US-5827850-A INJECTING IN BUFFERED AQUEOUS SOLUTIONS; ANTITUMOR OR ANTICARCINOGENIC AGENTS SANOFI PHARMACEUTICALS, INC. (US) 1998-10-27 US claimed
US-7816521-B2 1,2,4-benzotriazine-1,4-dioxides AUCKLAND UNISERVICES LIMITED (NZ) 2010-10-19 US disclosed
US-20070197534-A1 Novel 1,2,4-benzotriazine-1,4-dioxides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-08-23 US disclosed
EP-1044005-B1 1,2,4-BENZOTRIAZINE OXIDES FORMULATIONS SANOFI SYNTHELABO INC (US) 2006-07-05 EP disclosed
EP-1044005-A4 1,2,4-BENZOTRIAZINE OXIDES FORMULATIONS SANOFI SYNTHELABO INC (US) 2001-08-08 EP disclosed
US-6153610-A 1,2,4-benzotriazine oxides formulations SANOFI-SYNTHELABO INC. (US) 2000-11-28 US disclosed
EP-1044005-A1 1,2,4-BENZOTRIAZINE OXIDES FORMULATIONS Sanofi-Synthelabo, Inc. (US) 2000-10-18 EP disclosed
WO-1998047512-A1 1,2,4-BENZOTRIAZINE OXIDES FORMULATIONS SANOFI PHARMACEUTICALS, INC. (US) 1998-10-29 WO disclosed
US-5827850-A INJECTING IN BUFFERED AQUEOUS SOLUTIONS; ANTITUMOR OR ANTICARCINOGENIC AGENTS SANOFI PHARMACEUTICALS, INC. (US) 1998-10-27 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 (2 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-20070191372-A1 Dna-targeted benzotriazine 1,4-dioxides and their use in cancer therapy HIF1AN, HIF1A, HYOU1 CA12 1186/4885CA1 661/4885CA2 21/4885
US-20070197534-A1 Novel 1,2,4-benzotriazine-1,4-dioxides HIF1AN, HIF1A, HYOU1 CA12 871/4885CA1 261/4885CA2 21/4885

“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.