SCHEMBL921216

SCHEMBL921216

Fc1cccc(COc2ccc[c]c2F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.51
AGXT P21549 2/20 0.51
MAOB P27338 9/20 0.51
LMNA P02545 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HTR6 P50406 2/20 0.48
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
PLA2G1B P04054 1/20 0.45
GAA P10253 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NR4A2 P43354 1/20 0.44
MAOA P21397 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL919103 0.87 DHFR (0.45) IDO1AGXTMAOBLMNAL3MBTL1
SCHEMBL920164 0.85 ENPP2 (0.52) IDO1AGXTMAOBHTR6CYP3A4
SCHEMBL920331 0.85 IDO1 (0.49) IDO1MAOBL3MBTL1HTR6MAPT
SCHEMBL18526980 0.85 HTR6 (0.52) IDO1AGXTMAOBLMNAL3MBTL1
SCHEMBL3211927 0.83 MAPT (0.50) LMNAL3MBTL1MAPTALDH1A1GAA
SCHEMBL920470 0.83 ALDH1A1 (0.50) IDO1AGXTMAOBLMNAMAPT
SCHEMBL921931 0.82 ABCB1 (0.56) IDO1AGXTMAOBMAPT
SCHEMBL921311 0.81 MRGPRX4 (0.53) MAOBHTR6MAOA
SCHEMBL3324126 0.80 MAOB (0.54) IDO1AGXTMAOBLMNAL3MBTL1
SCHEMBL3321449 0.78 MAOB (0.49) IDO1AGXTMAOBLMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170050938-A1 SUBSTITUTED QUINOXALINES AS B-RAF KINASE INHIBITORS NEUPHARMA, INC. 2017-02-23 US disclosed
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 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 (3 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-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 IDO1 675/4885AGXT 21/4885MAOB 3730/4885
US-20170050938-A1 SUBSTITUTED QUINOXALINES AS B-RAF KINASE INHIBITORS BRAF, RAF1, ARAF IDO1 2861/4885AGXT 2526/4885MAOB 815/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 IDO1 236/4885AGXT 48/4885MAOB 4351/4885

“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.