SCHEMBL2888801

SCHEMBL2888801

Cc1ccc(/C(=N\O)c2nnnn2C)cc1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADCY8 P40145 3/20 0.34
ADCY1 Q08828 3/20 0.34
GPBAR1 Q8TDU6 1/20 0.32
NOTUM Q6P988 1/20 0.32
S1PR1 P21453 2/20 0.31
DRD4 P21917 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALKBH5 Q6P6C2 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
SCHEMBL2888804 1.00 ADCY8 (0.34) ADCY8ADCY1GPBAR1NOTUMS1PR1
SCHEMBL1073103 0.82 GPBAR1 (0.40) ADCY8ADCY1GPBAR1NOTUMDRD4
SCHEMBL1073884 0.81 SRC (0.33) SMN1; SMN2
SCHEMBL1073883 0.81 SRC (0.33) SMN1; SMN2
SCHEMBL4684160 0.77 ALDH1A1 (0.39) SMN1; SMN2
SCHEMBL1071944 0.76
SCHEMBL4684225 0.76 ALDH1A1 (0.40) SMN1; SMN2
SCHEMBL14505563 0.75 LMNA (0.38)
SCHEMBL1080530 0.75 S1PR1 (0.33) S1PR1
SCHEMBL1080531 0.75 S1PR1 (0.33) S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286173-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-11-11 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-20100286173-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES HAAO, CYP51A1, HPD ADCY8 4225/4885ADCY1 4419/4885GPBAR1 4680/4885

“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.