SCHEMBL9907437

SCHEMBL9907437

COC(=O)c1ccc2c(Cl)cnc(-c3c(F)cc(F)cc3F)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 12/20 0.54
CSNK2A1 P68400 2/20 0.42
MAP2K4 P45985 1/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TNF P01375 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
MCL1 Q07820 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NOD2 Q9HC29 1/20 0.40
NOD1 Q9Y239 1/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
ACLY P53396 1/20 0.39
PARP1 P09874 1/20 0.39

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
SCHEMBL9907998 0.91 HTR5A (0.52) HTR5ACSNK2A1MEN1MAPTKMT2A
SCHEMBL9105219 0.91 HTR5A (0.54) HTR5ACSNK2A1MEN1MAPTKMT2A
SCHEMBL12874614 0.89 HTR5A (0.54) HTR5AMAP2K4MEN1MAPTKMT2A
SCHEMBL9907502 0.87 HTR5A (0.67) HTR5AMAP2K4MEN1MAPTKMT2A
SCHEMBL9907731 0.86 HTR5A (0.67) HTR5ACSNK2A1MAP2K4MAPTLMNA
SCHEMBL9907660 0.86 HTR5A (0.60) HTR5ACSNK2A1MAPTALDH1A1
SCHEMBL9102359 0.86 HTR5A (0.51) HTR5ACSNK2A1MAP2K4MEN1MAPT
SCHEMBL9908008 0.85 HTR5A (0.51) HTR5ACSNK2A1MEN1MAPTKMT2A
SCHEMBL9907447 0.85 HTR5A (0.58) HTR5ACSNK2A1
SCHEMBL9107488 0.85 HTR5A (0.50) HTR5ACSNK2A1MAP2K4MEN1MAPT

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 4309/4885MAP2K4 3941/4885

“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.