SCHEMBL1073103

SCHEMBL1073103

Cc1ccc(C(=O)c2nnnn2C)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.40
ADCY8 P40145 3/20 0.40
ADCY1 Q08828 3/20 0.40
ALKBH5 Q6P6C2 1/20 0.36
ABCC9 O60706 1/20 0.35
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
KCNJ8 Q15842 1/20 0.35
DRD4 P21917 1/20 0.35
AR P10275 1/20 0.34
RARB P10826 1/20 0.34
LMNA P02545 1/20 0.34
RORC P51449 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
FLT1 P17948 1/20 0.34
KDR P35968 1/20 0.34
NOTUM Q6P988 1/20 0.33

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
SCHEMBL2888801 0.82 ADCY8 (0.34) GPBAR1ADCY8ADCY1ALKBH5DRD4
SCHEMBL2888804 0.82 ADCY8 (0.34) GPBAR1ADCY8ADCY1ALKBH5DRD4
SCHEMBL20919644 0.80 HPGD (0.44)
SCHEMBL27803229 0.78 HTT (0.48) GPBAR1ADCY8ADCY1ALKBH5LMNA
SCHEMBL4683800 0.75 ALDH1A1 (0.50) LMNA
SCHEMBL4686934 0.73 POLB (0.45)
SCHEMBL4686668 0.72 KDM4E (0.48) LMNA
SCHEMBL1556921 0.72 TAS1R3 (0.41)
SCHEMBL15314434 0.72 ADCY8 (0.43) GPBAR1ADCY8ADCY1ALKBH5RARB
SCHEMBL1070786 0.72 SMN1; SMN2 (0.50) ABCC9ABCC8KCNJ11KCNJ8NOTUM

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
EP-2271639-A2 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES Bayer CropScience AG (DE) 2011-01-12 EP disclosed
US-20100286173-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-11-11 US disclosed
WO-2009090237-A2 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2009-07-23 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-20100286173-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES HAAO, CYP51A1, HPD GPBAR1 4680/4885ADCY8 4225/4885ADCY1 4419/4885

“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.