SCHEMBL7128264

SCHEMBL7128264

O=[C]Cc1ccc(F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP17A1 P05093 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
DAO P14920 4/20 0.41
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
RIPK1 Q13546 1/20 0.38
KDM1A O60341 1/20 0.34
MAPK8 P45983 1/20 0.34

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
SCHEMBL5957850 0.84 HTT (0.41) HTTALDH1A1CYP17A1CYP11B1CYP11B2
SCHEMBL1528912 0.80 DAO (0.45) HTTALDH1A1CYP17A1CYP11B1CYP11B2
SCHEMBL1528872 0.80 CYP19A1 (0.46) ALDH1A1CYP17A1CYP11B1CYP11B2
SCHEMBL2785762 0.80 DAO (0.45) DAO
SCHEMBL25217284 0.77 LOXL2 (0.37) MAOB
SCHEMBL6211745 0.77 AR (0.46)
SCHEMBL97947 0.77 DAO (0.42) HTTALDH1A1DAOMAOAMAOB
SCHEMBL97984 0.76 DAO (0.41) HTTALDH1A1DAO
SCHEMBL96029 0.75 TAAR1 (0.48) DAOMAOB
SCHEMBL6950412 0.74 ALDH1A1 (0.55) HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6660858-B2 Made by reacting a benzoxazole with a leaving group at the 2 position and a diamine of given formula LION BIOSCIENCE AG (DE) 2003-12-09 US claimed
US-20020161028-A1 2-aminobenzoxazole derivatives and combinatorial libraries thereof LION BIOSCIENCE, AG (DE) 2002-10-31 US claimed
WO-2002079753-A2 2-AMINOBENZOXAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2002-10-10 WO claimed
EP-0469887-B1 Acetamide derivatives ZENECA LTD (GB) 1994-12-14 EP claimed
US-5270342-A Acetamide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-14 US claimed
EP-0469887-A1 Acetamide derivatives ZENECA LIMITED (GB) 1992-02-05 EP claimed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-6660858-B2 Made by reacting a benzoxazole with a leaving group at the 2 position and a diamine of given formula LION BIOSCIENCE AG (DE) 2003-12-09 US disclosed
US-20020161028-A1 2-aminobenzoxazole derivatives and combinatorial libraries thereof LION BIOSCIENCE, AG (DE) 2002-10-31 US disclosed
WO-2002079753-A2 2-AMINOBENZOXAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2002-10-10 WO disclosed
US-5430060-A Aldose reductase inhibitor ZENECA LIMITED (GB) 1995-07-04 US disclosed
EP-0469887-B1 Acetamide derivatives ZENECA LTD (GB) 1994-12-14 EP disclosed
US-5270342-A Acetamide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-14 US disclosed
EP-0469887-A1 Acetamide derivatives ZENECA LIMITED (GB) 1992-02-05 EP disclosed
EP-0126635-B1 NOVEL OXINDOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-12-18 EP disclosed
US-4694017-A 2-amido 3(oxindol-3-yl)propionic acids having antiulcer activity OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-09-15 US disclosed
EP-0126635-A2 Novel oxindole derivative OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-11-28 EP disclosed
US-4415572-A CARDIOTONIC AND INOTROPIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-11-15 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-20020161028-A1 2-aminobenzoxazole derivatives and combinatorial libraries thereof BCAT2, IL4I1, BCAT1 HTT 4765/4885ALDH1A1 599/4885CYP17A1 2391/4885

“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.