SCHEMBL9907752

SCHEMBL9907752

COC(=O)c1ccc2c(F)cnc(-c3ccc(F)cc3C)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 11/20 0.51
MAP2K4 P45985 1/20 0.45
PARP1 P09874 1/20 0.43
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
TNF P01375 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
NR2F2 P24468 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
MCL1 Q07820 1/20 0.39
KLF5 Q13887 1/20 0.39
NOD1 Q9Y239 1/20 0.39
SLC2A1 P11166 1/20 0.39
MAPK14 Q16539 3/20 0.39
ALPL P05186 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
SCHEMBL9909274 0.92 HTR5A (0.47) HTR5AMAP2K4PARP1LMNAMAPT
SCHEMBL9907503 0.91 HTR5A (0.53) HTR5AMAP2K4PARP1LMNAMAPT
SCHEMBL9907675 0.89 HTR5A (0.54) HTR5AMAP2K4PARP1LMNAMAPT
SCHEMBL9907754 0.89 HTR5A (0.47) HTR5AMAP2K4MAPTMEN1KMT2A
SCHEMBL9907515 0.87 HTR5A (0.67) HTR5AMAP2K4PARP1LMNAMAPT
SCHEMBL9909277 0.87 SCN9A (0.50) HTR5AMAP2K4PARP1
SCHEMBL9907702 0.87 HTR5A (0.53) HTR5APARP1NPC1RAB9A
SCHEMBL9907761 0.87 HTR5A (0.54) HTR5AMAP2K4MAPK14
SCHEMBL9104476 0.83 HTR5A (0.51) HTR5AMAP2K4PARP1LMNAMAPT
SCHEMBL9907703 0.83 MAP2K4 (0.54) HTR5AMAP2K4PARP1LMNAMAPT

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 2 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-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 3941/4885PARP1 1373/4885

“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.