SCHEMBL9907489

SCHEMBL9907489

COC(=O)c1cc(C)c2nccc(-c3ccc(C)cc3F)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.42
CYP46A1 Q9Y6A2 1/20 0.41
HDAC1 Q13547 4/20 0.41
KDM1A O60341 2/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.38
CYP2C9 P11712 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A4 P31645 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGS2 P35354 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
ALPL P05186 1/20 0.37
GRM2 Q14416 1/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL9907431 0.91 MAPK14 (0.51) MAPK14ALPLMAPTKDM4E
SCHEMBL9907488 0.89 MAPK14 (0.41) MAPK14PTGDR2ALPLGRM2MEN1
SCHEMBL9907468 0.87 PTGDR2 (0.39) MAPK14CYP46A1PTGDR2CYP2C9PTGS1
SCHEMBL9907492 0.87 PTGDR2 (0.42) MAPK14HDAC1KDM1AHDAC2HDAC11
SCHEMBL9907493 0.86 CYP46A1 (0.39) CYP46A1PTGDR2CYP2C9PTGS1SLC6A4
SCHEMBL9925473 0.84 HDAC1 (0.39) MAPK14HDAC1KDM1AHDAC2HDAC11
SCHEMBL9907399 0.82 ALOX15 (0.46) CYP46A1HDAC1KDM1AHDAC2HDAC11
SCHEMBL9907417 0.82 PTGDR2 (0.42) MAPK14PTGDR2CYP2C9PTGS1SLC6A4
SCHEMBL9907424 0.82 MAPK14 (0.39) MAPK14PTGDR2CYP2C9PTGS1SLC6A4
SCHEMBL9907419 0.82 MAPK14 (0.41) MAPK14MAPT

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 6 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-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
EP-2463276-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2012-06-13 EP disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 US disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 US disclosed
WO-2011016504-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2011-02-10 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-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E MAPK14 3810/4885CYP46A1 2818/4885HDAC1 301/4885

“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.