SCHEMBL2776140

SCHEMBL2776140

CCc1nc2cc(OCCCN3CCOCC3)ccc2[n+]([O-])n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
HRH3 Q9Y5N1 4/20 0.52
MAPK1 P28482 2/20 0.52
SIGMAR1 Q99720 2/20 0.52
CYP1A2 P05177 1/20 0.52
CHRM2 P08172 1/20 0.52
CHRM1 P11229 1/20 0.52
HTR2A P28223 1/20 0.52
SCN1A P35498 1/20 0.52
HTR2B P41595 1/20 0.52
KCNH2 Q12809 1/20 0.52
SCN2A Q99250 1/20 0.52
SCN3A Q9NY46 1/20 0.52
USP2 O75604 1/20 0.51
LMNA P02545 1/20 0.51
FGFR1 P11362 2/20 0.47
SRC P12931 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
TSHR P16473 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
SCHEMBL6679644 0.87 ACHE (0.48) ALDH1A1HRH3MAPK1SIGMAR1CYP1A2
SCHEMBL2776315 0.80 ALDH1A1 (0.53) ALDH1A1HRH3MAPK1SIGMAR1CYP1A2
SCHEMBL6029115 0.80 ALDH1A1 (0.57) ALDH1A1HRH3MAPK1SIGMAR1CYP1A2
SCHEMBL2777464 0.76 FGFR1 (0.40) ALDH1A1HRH3FGFR1SRCKDM4E
SCHEMBL6675614 0.73 CRHBP (0.41) ALDH1A1CYP1A2LMNAKDM4EHTT
SCHEMBL6674324 0.72 PIK3CA (0.48) ALDH1A1CYP1A2USP2LMNAKDM4E
SCHEMBL2245987 0.72 TMEM97 (0.33) SIGMAR1
SCHEMBL13186317 0.72 HRH3 (0.80) ALDH1A1HRH3MAPK1SIGMAR1CYP1A2
SCHEMBL6674330 0.72 KDM4E (0.55) ALDH1A1FGFR1SRCKDM4ETSHR
SCHEMBL6674667 0.72 KDM4E (0.49) ALDH1A1FGFR1SRCKDM4E

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 6 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
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 ALDH1A1 1013/4885HRH3 786/4885MAPK1 4221/4885

“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.