SCHEMBL5512237

SCHEMBL5512237

CCOC(=O)C=CC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.53
NTSR1 P30989 1/20 0.53
HTT P42858 1/20 0.52
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
POLB P06746 2/20 0.49
CYP3A4 P08684 2/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.46
PKM P14618 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
PRKDC P78527 1/20 0.43
HSD17B10 Q99714 1/20 0.43
FDPS P14324 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
SCHEMBL5512233 1.00 RAB9A (0.53) RAB9ANTSR1HTTALDH1A1KDM4E
SCHEMBL14601568 0.84 RAB9A (0.46) RAB9AALDH1A1POLBCYP3A4NPC1
SCHEMBL8908144 0.82 ALDH1A1 (0.60) RAB9AHTTALDH1A1KDM4ETDP1
SCHEMBL8908142 0.82 ALDH1A1 (0.60) RAB9AHTTALDH1A1KDM4ETDP1
SCHEMBL6318850 0.81 ALDH1A1 (0.60) RAB9ANTSR1HTTALDH1A1KDM4E
SCHEMBL6318854 0.81 ALDH1A1 (0.60) RAB9ANTSR1HTTALDH1A1KDM4E
SCHEMBL2333730 0.81 HTT (0.59) HTTALDH1A1KDM4ETDP1POLB
SCHEMBL14601586 0.80 DBH (0.53) RAB9AHTTALDH1A1KDM4ETDP1
SCHEMBL28102922 0.77 RAB9A (0.56) RAB9ANTSR1HTTALDH1A1KDM4E
SCHEMBL8263297 0.76 MEN1 (0.55) RAB9AHTTALDH1A1KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238812-B2 Tricyclic triazolobenzazepine derivatives, process for producing the same, and antiallergic agents MEJI SEIKA KAISHA, LTD. (JP) 2007-07-03 US disclosed
US-20060074074-A1 Tricyclic triazolobenzazepine derivatives, process for producing the same, and antiallergic agents MEIJI SEIKA PHARMA CO., LTD. (JP) 2006-04-06 US disclosed
US-7022860-B2 Tricyclic triazolobenzazepine derivatives, process for producing the same, and antiallergic agents MEIJI SEIKA KAISHA, LTD. (JP) 2006-04-04 US disclosed
EP-1026167-B1 TRICYCLIC TRIAZOLOBENZAZEPINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND ANTIALLERGIC AGENTS MEIJI SEIKA KAISHA (JP) 2003-03-05 EP disclosed
US-20020137739-A1 Tricyclic triazolobenzazepine derivatives, process for producing the same, and antiallergic agents MEIJI SEIKA PHARMA CO., LTD. (JP) 2002-09-26 US disclosed
US-6372735-B1 ANTIHISTAMINES MEIJI SEIKA KAISHA, LTD. (JP) 2002-04-16 US disclosed
EP-1026167-A1 TRICYCLIC TRIAZOLOBENZAZEPINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND ANTIALLERGIC MEIJI SEIKA KAISHA LTD. (JP) 2000-08-09 EP 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-20060074074-A1 Tricyclic triazolobenzazepine derivatives, process for producing the same, and antiallergic agents HRH4, CYP2D6, CYP2B6 RAB9A 3302/4885NTSR1 205/4885HTT 1088/4885
US-20020137739-A1 Tricyclic triazolobenzazepine derivatives, process for producing the same, and antiallergic agents HRH4, CYP3A4, TPH1 RAB9A 2898/4885NTSR1 311/4885HTT 1362/4885

“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.