SCHEMBL5512976

SCHEMBL5512976

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
POLB P06746 3/20 0.49
NPC1 O15118 2/20 0.47
CYP3A4 P08684 2/20 0.47
LMNA P02545 2/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
PKM P14618 2/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 2/20 0.43
GAA P10253 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
SCHEMBL5515232 0.92 HTT (0.51) HTTALDH1A1KDM4ETDP1POLB
SCHEMBL2333730 0.81 HTT (0.59) HTTALDH1A1KDM4ETDP1POLB
SCHEMBL7871106 0.79 MAPT (0.49) ALDH1A1TDP1MEN1KMT2APKM
SCHEMBL7863144 0.79 HPGD (0.48) ALDH1A1TDP1POLBNPC1CYP3A4
SCHEMBL15490532 0.78 HTT (0.62) HTTALDH1A1KDM4EPOLBNPC1
SCHEMBL5515200 0.77 ALDH1A1 (0.47) HTTALDH1A1KDM4ETDP1POLB
SCHEMBL8263297 0.76 MEN1 (0.55) HTTALDH1A1KDM4ETDP1POLB
SCHEMBL28557642 0.76 LMNA (0.58) HTTALDH1A1KDM4EPOLBNPC1
SCHEMBL5512233 0.74 RAB9A (0.53) HTTALDH1A1KDM4ETDP1POLB
SCHEMBL5512237 0.74 RAB9A (0.53) HTTALDH1A1KDM4ETDP1POLB

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 HTT 1088/4885ALDH1A1 959/4885KDM4E 752/4885
US-20020137739-A1 Tricyclic triazolobenzazepine derivatives, process for producing the same, and antiallergic agents HRH4, CYP3A4, TPH1 HTT 1362/4885ALDH1A1 691/4885KDM4E 547/4885

“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.