SCHEMBL9908020

SCHEMBL9908020

COC(=O)c1ccc2c(Cl)cnc(-c3cc(Cl)ccc3F)c2c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 7/20 0.48
MAP2K4 P45985 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
CSNK2A1 P68400 2/20 0.44
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
TGFBR1 P36897 1/20 0.40
TTR P02766 1/20 0.40
TDO2 P48775 1/20 0.39
ACLY P53396 1/20 0.39
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
KCNE1 P15382 1/20 0.39
KCNQ1 P51787 1/20 0.39
SCN9A Q15858 1/20 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
SCHEMBL9907745 0.92 HTR5A (0.55) HTR5AMAP2K4MEN1KMT2AMAPT
SCHEMBL9907714 0.92 HTR5A (0.55) HTR5AMAP2K4MEN1KMT2AMAPT
SCHEMBL9907744 0.89 HTR5A (0.52) HTR5AMAP2K4MEN1KMT2AMAPT
SCHEMBL9907674 0.88 HTR5A (0.52) HTR5AMEN1KMT2AMAPTCASP3
SCHEMBL9907730 0.88 MAP2K4 (0.46) HTR5AMAP2K4MAPTCSNK2A1CSNK2A2
SCHEMBL9907697 0.86 MAP2K4 (0.45) HTR5AMAP2K4MEN1KMT2AMAPT
SCHEMBL9907990 0.85 HTR5A (0.52) HTR5AMAP2K4CSNK2A1CSNK2A2CSNK2B
SCHEMBL9907992 0.85 HTR5A (0.50) HTR5AMAP2K4KMT2ACSNK2A1ACLY
SCHEMBL9907731 0.85 HTR5A (0.67) HTR5AMAP2K4MAPTCSNK2A1ACLY
SCHEMBL9909289 0.85 MEN1 (0.45) HTR5AMAP2K4MEN1KMT2AMAPT

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 4 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

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 1/4885MAP2K4 3941/4885MEN1 3631/4885

“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.