SCHEMBL9907744

SCHEMBL9907744

COC(=O)c1ccc2c(Cl)cnc(-c3cc(F)c(F)cc3F)c2c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 9/20 0.52
CSNK2A1 P68400 2/20 0.41
RORC P51449 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
CASP3 P42574 1/20 0.40
KMT2A Q03164 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
ALPL P05186 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TTR P02766 1/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
MAP2K4 P45985 2/20 0.38
ACLY P53396 1/20 0.37

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
SCHEMBL9908020 0.89 HTR5A (0.48) HTR5ACSNK2A1MEN1MAPTCASP3
SCHEMBL9907731 0.88 HTR5A (0.67) HTR5ACSNK2A1RORCMAPTALPL
SCHEMBL9907745 0.88 HTR5A (0.55) HTR5ACSNK2A1MEN1MAPTCASP3
SCHEMBL9907714 0.88 HTR5A (0.55) HTR5ACSNK2A1RORCMEN1MAPT
SCHEMBL9907759 0.87 HTR5A (0.54) HTR5ACSNK2A1RORCMEN1MAPT
SCHEMBL9907674 0.87 HTR5A (0.52) HTR5ACSNK2A1RORCMEN1MAPT
SCHEMBL9907994 0.86 HTR5A (0.53) HTR5ACSNK2A1RORCMEN1MAPT
SCHEMBL9907668 0.85 HTR5A (0.49) HTR5ACSNK2A1RORCMEN1MAPT
SCHEMBL9907687 0.85 HTR5A (0.51) HTR5ACSNK2A1RORCMEN1MAPT
SCHEMBL9907699 0.85 HTR5A (0.51) HTR5ACSNK2A1RORCMEN1MAPT

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 5 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
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 HTR5A 1/4885CSNK2A1 4309/4885RORC 3704/4885

“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.