SCHEMBL20031605

SCHEMBL20031605

C#Cc1cncn1CC1(c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2Cl)OCCO1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
PGGT1B P53609 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.31
NPBWR1 P48145 3/20 0.31
MCHR1 Q99705 1/20 0.30
HTR2A P28223 2/20 0.30
SLC6A4 P31645 2/20 0.30
KCNH2 Q12809 2/20 0.30
SCN9A Q15858 1/20 0.30

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
SCHEMBL21632114 0.89 NPBWR1 (0.31) FNTAFNTBPGGT1BADAMTS5NPBWR1
SCHEMBL20031125 0.87 NPBWR1 (0.30) FNTAFNTBPGGT1BNPBWR1MCHR1
SCHEMBL20031127 0.86 FNTA (0.33) FNTAFNTBPGGT1BADAMTS5NPBWR1
SCHEMBL20031604 0.80 CYP3A4 (0.36) HTR2ASLC6A4KCNH2
SCHEMBL21632243 0.77 CYP3A4 (0.39) FNTAFNTBPGGT1BHTR2ASLC6A4
SCHEMBL21632262 0.75 CYP3A4 (0.38) FNTAFNTBPGGT1BHTR2ASLC6A4
SCHEMBL20031603 0.74 CYP3A4 (0.37) FNTAFNTBPGGT1BNPBWR1HTR2A
SCHEMBL20031435 0.73 AR (0.38) FNTAFNTBPGGT1BHTR2ASLC6A4
SCHEMBL21632373 0.67 CYP17A1 (0.31) FNTAFNTBPGGT1B
SCHEMBL21631894 0.66 CYP3A4 (0.44) HTR2ASLC6A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200029563-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYLDIOXOLANE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2020-01-30 US disclosed
US-20200029563-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYLDIOXOLANE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2020-01-30 US disclosed
WO-2018060088-A1 5-SUBSTITUTED IMIDAZOLYLMETHYLDIOXOLANE DERIVATIVES AS FUNGICIIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-04-05 WO 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-20200029563-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYLDIOXOLANE DERIVATIVES PIP5K1B, PIP5K1A, PIP5K1C FNTA 1944/4885FNTB 2008/4885PGGT1B 3151/4885

“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.