SCHEMBL2777464

SCHEMBL2777464

CCc1nc2cc(OCCN(C)C)ccc2[n+]([O-])n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.40
SRC P12931 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
ACHE P22303 3/20 0.39
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
LTA4H P09960 1/20 0.37
NOS1 P29475 1/20 0.36
NOS2 P35228 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
SCHEMBL5112395 0.84 ADORA2A (0.43) FGFR1SRCKDM4EALDH1A1ACHE
SCHEMBL6675614 0.80 CRHBP (0.41) KDM4EALDH1A1ACHEKEAP1NFE2L2
SCHEMBL2777534 0.77 HRH3 (0.41) FGFR1SRCKDM4EALDH1A1CHRNB2
SCHEMBL6675992 0.75 APP (0.38) ALDH1A1KEAP1NFE2L2
SCHEMBL5119393 0.74 CHRNB2 (0.46) FGFR1SRCKDM4EALDH1A1ACHE
SCHEMBL2776163 0.74 POLB (0.41) KDM4EALDH1A1
SCHEMBL2774175 0.74 RAD52 (0.36) FGFR1SRC
SCHEMBL6673479 0.73 NQO2 (0.34) KDM4EALDH1A1
SCHEMBL5117884 0.72 KEAP1 (0.41) FGFR1SRCKDM4EALDH1A1CHRNB2
SCHEMBL2775268 0.72 KDM4E (0.31) KDM4E

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-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

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 FGFR1 3021/4885SRC 4370/4885KDM4E 188/4885

“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.