SCHEMBL2777534

SCHEMBL2777534

CCc1n[n+]([O-])c2ccc(OCCN(C)C)cc2[n+]1[O-]

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.41
CHRNB2 P17787 3/20 0.39
CHRNA4 P43681 3/20 0.39
LTA4H P09960 2/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
FGFR1 P11362 1/20 0.36
SRC P12931 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAOA P21397 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
SCHEMBL5117884 0.84 KEAP1 (0.41) HRH3KDM4EALDH1A1CHRNB2CHRNA4
SCHEMBL2777464 0.77 FGFR1 (0.40) HRH3KDM4EALDH1A1CHRNB2CHRNA4
SCHEMBL14078757 0.73 CHRNB2 (0.46) KDM4EALDH1A1CHRNB2CHRNA4SMN1; SMN2
SCHEMBL5112395 0.72 ADORA2A (0.43) HRH3KDM4EALDH1A1CHRNB2CHRNA4
SCHEMBL2777987 0.72 POLB (0.41) KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL2776095 0.72 CA12 (0.34) KDM4EALDH1A1MAPT
SCHEMBL14428434 0.70
SCHEMBL5461338 0.68 CA12 (0.40) KDM4ESMN1; SMN2
SCHEMBL14078753 0.67 TAAR1 (0.35) LTA4HFGFR1
SCHEMBL8430078 0.66 HRH3 (0.72) HRH3KDM4EALDH1A1LTA4HKEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-1723125-A1 NOVEL 1,2,4-BENZOTRIAZINE-1,4-DIOXIDES Auckland Uniservices Limited (NZ) 2006-11-22 EP claimed
WO-2005082867-A1 NOVEL 1,2,4-BENZOTRIAZINE-1,4-DIOXIDES AUCKLAND UNISERVICES LIMITED (NZ) 2005-09-09 WO claimed
US-7816521-B2 1,2,4-benzotriazine-1,4-dioxides AUCKLAND UNISERVICES LIMITED (NZ) 2010-10-19 US disclosed
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
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-1723125-A1 NOVEL 1,2,4-BENZOTRIAZINE-1,4-DIOXIDES Auckland Uniservices Limited (NZ) 2006-11-22 EP disclosed
WO-2005082867-A1 NOVEL 1,2,4-BENZOTRIAZINE-1,4-DIOXIDES AUCKLAND UNISERVICES LIMITED (NZ) 2005-09-09 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-20070197534-A1 Novel 1,2,4-benzotriazine-1,4-dioxides HIF1AN, HIF1A, HYOU1 HRH3 786/4885KDM4E 188/4885ALDH1A1 1013/4885

“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.