SCHEMBL855545

SCHEMBL855545

O=C1OCc2c(F)cc(F)cc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.40
MAOA P21397 6/20 0.40
MAOB P27338 6/20 0.40
ALOX5 P09917 4/20 0.39
ALDH1A1 P00352 1/20 0.38
LOX P28300 1/20 0.37
PGR P06401 3/20 0.35
AR P10275 2/20 0.35
NR3C1 P04150 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
KCNJ1 P48048 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
NR3C2 P08235 1/20 0.35

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
SCHEMBL2044970 0.81 LMNA (0.41) MAOAMAOBALOX5LMNAGAA
SCHEMBL855164 0.81 MAOA (0.38) MAOAMAOBALOX5LMNAGAA
SCHEMBL20811853 0.81 KCNJ1 (0.40) MAOAMAOBALOX5ALDH1A1LMNA
SCHEMBL855294 0.81 MAOA (0.38) MAOAMAOBALOX5LMNAGAA
SCHEMBL3873999 0.78 MAOA (0.41) MAOAMAOBALOX5PDE3BPDE3A
SCHEMBL14727441 0.77 MAOA (0.38) MAOAMAOBALOX5KCNJ1PDE3B
SCHEMBL854099 0.76 ALOX5 (0.39) MAOAMAOBALOX5ALDH1A1LMNA
SCHEMBL2049186 0.75 PGR (0.41) MAOAMAOBALOX5ALDH1A1PGR
SCHEMBL29947934 0.75 PGR (0.41) MAOAMAOBALOX5ALDH1A1PGR
SCHEMBL25354432 0.74 TGM2 (0.39) TGM2MAOAMAOBLOXPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105849094-B The manufacture method of halogen-substituted phthalein 住友化学株式会社 2018-04-10 CN disclosed
CN-105849094-A Method for producing halogen-substituted phthalide 住友化学株式会社 2016-08-10 CN disclosed
US-8604221-B2 Production method of halogen-substituted phthalide SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-12-10 US disclosed
US-20130053365-A1 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) BIOMARIN PHARMACEUTICAL, INC. (US) 2013-02-28 US disclosed
US-20130053365-A1 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) BIOMARIN PHARMACEUTICAL, INC. (US) 2013-02-28 US disclosed
US-20130053365-A1 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) BIOMARIN PHARMACEUTICAL, INC. (US) 2013-02-28 US disclosed
US-20120142946-A1 PRODUCTION METHOD OF HALOGEN-SUBSTITUTED PHTHALIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-06-07 US disclosed
EP-2433933-A1 PRODUCTION METHOD OF HALOGEN-SUBSTITUTED PHTHALIDE Sumitomo Chemical Company, Limited (JP) 2012-03-28 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 (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-20130053365-A1 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP3 TGM2 2893/4885MAOA 587/4885MAOB 241/4885

“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.