SCHEMBL9366200

SCHEMBL9366200

C=C(C)c1cccc(C(F)(F)F)n1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.53
AHR P35869 1/20 0.43
ADRB1 P08588 1/20 0.40
IDH1 O75874 5/20 0.39
IDH2 P48735 2/20 0.39
NOTUM Q6P988 1/20 0.37
DDR1 Q08345 1/20 0.36
PGK1 P00558 1/20 0.36
PGK2 P07205 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
IRAK4 Q9NWZ3 3/20 0.34
CBLB Q13191 2/20 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
SCHEMBL23397550 0.82 P2RX7 (0.54) P2RX7AHRADRB1IDH1IDH2
SCHEMBL29799817 0.81 P2RX7 (0.62) P2RX7AHRADRB1IDH1IDH2
SCHEMBL13043982 0.81 P2RX7 (0.62) P2RX7AHRADRB1IDH1IDH2
SCHEMBL13793158 0.79 KDM4E (0.46) P2RX7
SCHEMBL15761116 0.78 P2RX7 (0.50) P2RX7AHRADRB1IDH1IDH2
SCHEMBL27737055 0.78 P2RX7 (0.68) P2RX7AHRADRB1IDH1IDH2
SCHEMBL9365425 0.77 P2RX7 (0.53) P2RX7AHRADRB1NOTUMDDR1
SCHEMBL22481338 0.76 P2RX7 (0.49) P2RX7AHRADRB1IDH1IDH2
SCHEMBL15102337 0.75 P2RX7 (0.47) P2RX7AHRADRB1IDH1IDH2
SCHEMBL496206 0.74 P2RX7 (0.64) P2RX7AHRPGK1PGK2TAS2R14

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-20230354808-A1 METHOD OF CONTROLLING SOYBEAN RUST FUNGUS RESISTANT TO QOI FUNGICIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-11-09 US disclosed
EP-3448846-B1 SYNTHESIS OF INDAZOLES Bayer Pharma AG (DE) 2021-05-26 EP disclosed
EP-0281110-B1 N-[2-(pyridyl)propyl]-N-substituted sulfonamide, herbicide containing the same as an active ingredient and intermediate thereof MITSUBISHI CHEM IND (JP) 1994-09-07 EP disclosed
US-4960897-A Herbicide containing 1-(halogenomethyl)-vinyl pyridines MITSUBISHI KASEI CORPORATION (JP) 1990-10-02 US disclosed
EP-0281110-A2 N-[2-(pyridyl)propyl]-N-substituted sulfonamide, herbicide containing the same as an active ingredient and intermediate thereof MITSUBISHI KASEI CORPORATION (JP) 1988-09-07 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-20230354808-A1 METHOD OF CONTROLLING SOYBEAN RUST FUNGUS RESISTANT TO QOI FUNGICIDE SQOR, CYC1, COX5B P2RX7 2738/4885AHR 92/4885ADRB1 3667/4885

“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.