SCHEMBL9909254

SCHEMBL9909254

COC(=O)c1cc(C)c2nccc(-c3c(F)cc(OC)cc3F)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.37
PDK2 Q15119 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
PTGDR2 Q9Y5Y4 4/20 0.35
CYP2C9 P11712 1/20 0.35
PTGS1 P23219 1/20 0.35
SLC6A4 P31645 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTGS2 P35354 1/20 0.35
KDM4E B2RXH2 2/20 0.35
KDM6B O15054 1/20 0.35
KDM5C P41229 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
KDM3A Q9Y4C1 1/20 0.35
CTSA P10619 1/20 0.35
MAPK14 Q16539 1/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 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
SCHEMBL9907424 0.91 MAPK14 (0.39) PDK2PTGDR2CYP2C9PTGS1SLC6A4
SCHEMBL9907468 0.91 PTGDR2 (0.39) PDK2PTGDR2CYP2C9PTGS1SLC6A4
SCHEMBL9909218 0.90 PRKAB2 (0.39) GRM2PTGDR2CYP2C9PTGS1SLC6A4
SCHEMBL9907417 0.88 PTGDR2 (0.42) PDK2PTGDR2CYP2C9PTGS1SLC6A4
SCHEMBL12874616 0.86 BTK (0.38) GRM2PTGDR2CYP2C9PTGS1SLC6A4
SCHEMBL9907519 0.84 PDK2 (0.35) PDK2PTGDR2CYP2C9PTGS1SLC6A4
SCHEMBL9909219 0.84 HTR5A (0.45) GRM2
SCHEMBL9909171 0.84 GPBAR1 (0.38) PDK2PTGDR2CYP2C9PTGS1SLC6A4
SCHEMBL9907483 0.84 MAPK14 (0.37) PDK2PTGDR2CYP2C9PTGS1SLC6A4
SCHEMBL9909210 0.81 HTT (0.46) GRM2CA1CA2KDM4EKDM6B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 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-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E GRM2 109/4885PDK2 4717/4885CA1 3584/4885

“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.