SCHEMBL9907458

SCHEMBL9907458

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.41
NR1H2 P55055 7/20 0.39
NOTUM Q6P988 2/20 0.39
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TNF P01375 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NOD2 Q9HC29 1/20 0.36
NOD1 Q9Y239 1/20 0.36
CFTR P13569 2/20 0.36
NR1H3 Q13133 5/20 0.36
KDR P35968 1/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL9907456 0.87 LMNA (0.42) PTGDR2MAPTMEN1ALDH1A1TNF
SCHEMBL9907461 0.86 PTGDR2 (0.43) PTGDR2NR1H2NR1H3PPARGKDM4C
SCHEMBL9907424 0.85 MAPK14 (0.39) PTGDR2MAPTMEN1ALDH1A1TNF
SCHEMBL9907426 0.84 ACLY (0.40) PTGDR2NR1H2MAPTMEN1ALDH1A1
SCHEMBL9907835 0.81 HTR5A (0.49) PTGDR2
SCHEMBL9907454 0.80 NR1H2 (0.46) NR1H2NOTUMMAPTALDH1A1LMNA
SCHEMBL9907446 0.80 NOTUM (0.45) NR1H2NOTUMMAPTALDH1A1LMNA
SCHEMBL9907483 0.78 MAPK14 (0.37) PTGDR2NR1H2MAPTMEN1ALDH1A1
SCHEMBL9907468 0.78 PTGDR2 (0.39) PTGDR2MAPTMEN1ALDH1A1LMNA
SCHEMBL9107247 0.78 HTT (0.48) MAPTMEN1ALDH1A1TNFLMNA

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 PTGDR2 977/4885NR1H2 705/4885NOTUM 1086/4885

“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.