SCHEMBL9907456

SCHEMBL9907456

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
TNF P01375 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
MCL1 Q07820 1/20 0.42
NOD2 Q9HC29 1/20 0.42
NOD1 Q9Y239 1/20 0.42
CDK8 P49336 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CDK9 P50750 1/20 0.40
CDK5 Q00535 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
KDM4E B2RXH2 4/20 0.38

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 0.90 MAPK14 (0.39) LMNAMAPTSMN1; SMN2GAAMEN1
SCHEMBL9907426 0.89 ACLY (0.40) LMNAMAPTSMN1; SMN2GAAMEN1
SCHEMBL9907458 0.87 PTGDR2 (0.41) LMNAMAPTSMN1; SMN2GAAMEN1
SCHEMBL9907460 0.84 TTR (0.43) LMNAMAPTGAAALDH1A1HPGD
SCHEMBL9907483 0.83 MAPK14 (0.37) LMNAMAPTSMN1; SMN2GAAMEN1
SCHEMBL9907468 0.83 PTGDR2 (0.39) LMNAMAPTGAAMEN1ALDH1A1
SCHEMBL9107247 0.82 HTT (0.48) LMNAMAPTSMN1; SMN2GAAMEN1
SCHEMBL9909254 0.81 GRM2 (0.37) LMNAMAPTGAAALDH1A1HPGD
SCHEMBL9907417 0.81 PTGDR2 (0.42) ALDH1A1KDM4EKDM6BKDM5CKDM4C
SCHEMBL9907453 0.80 KDM4E (0.42) LMNAGAAALDH1A1HPGDHTT

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-B1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2014-03-12 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 LMNA 4287/4885MAPT 342/4885SMN1; SMN2 3684/4885

“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.