SCHEMBL515311

SCHEMBL515311

[C]OCc1ccccc1C(F)(F)F

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.66
MAOB P27338 4/20 0.50
MAOA P21397 1/20 0.47
TACR1 P25103 2/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ATM Q13315 1/20 0.42
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLQ O75417 1/20 0.39
SLC6A4 P31645 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
DAO P14920 1/20 0.38

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
SCHEMBL3088642 0.83 IDO1 (0.70) IDO1MAOBMAOATACR1ALDH1A1
SCHEMBL17986303 0.79 IDO1 (0.66) IDO1MAOBMAOATACR1ALDH1A1
SCHEMBL514612 0.79 IDO1 (0.66) IDO1MAOBMAOATACR1ALDH1A1
SCHEMBL514613 0.79 IDO1 (0.66) IDO1MAOBMAOATACR1ALDH1A1
SCHEMBL1520802 0.79 IDO1 (1.00) IDO1MAOBMAOA
Hydrochloric Acid SCHEMBL1549961 0.78 IDO1 (1.00) IDO1MAOB
SCHEMBL10202644 0.77 IDO1 (0.58) IDO1MAOBMAOATACR1ALDH1A1
SCHEMBL18213790 0.76 IDO1 (0.61) IDO1MAOBMAOATACR1ALDH1A1
SCHEMBL13677273 0.76 IDO1 (0.61) IDO1MAOBMAOATACR1ALDH1A1
SCHEMBL3161448 0.76 IDO1 (0.61) IDO1MAOBMAOATACR1ALDH1A1

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
WO-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
WO-2014184071-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
EP-2420493-A1 HALOALKYLSULFONANILIDE DERIVATIVE Nissan Chemical Industries, Ltd. (JP) 2012-02-22 EP disclosed
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-02 US disclosed
EP-2336104-A1 ORTHO-SUBSTITUTED HALOALKYLSULFONANILIDE DERIVATIVE AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2011-06-22 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-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE CBR3, CBR1, HDHD5 IDO1 2656/4885MAOB 3755/4885MAOA 4190/4885

“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.