SCHEMBL9908003

SCHEMBL9908003

COC(=O)c1ccc2c(Cl)cnc(-c3cc(F)ccc3C)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 5/20 0.52
MAP2K4 P45985 1/20 0.43
PARP1 P09874 1/20 0.41
ABL1 P00519 4/20 0.40
MAPK14 Q16539 3/20 0.39
CSNK2A1 P68400 2/20 0.39
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
KCNE1 P15382 1/20 0.38
KCNQ1 P51787 1/20 0.38
DYRK1A Q13627 1/20 0.38
CTSA P10619 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
TNF P01375 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
NR2F2 P24468 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
SCHEMBL9907675 0.91 HTR5A (0.54) HTR5AMAP2K4PARP1MAPK14CSNK2A1
SCHEMBL9907745 0.90 HTR5A (0.55) HTR5AMAP2K4PARP1CSNK2A1KDM4E
SCHEMBL9907683 0.89 HTR5A (0.56) HTR5AMAP2K4PARP1CSNK2A1KDM4E
SCHEMBL9909311 0.88 HTR5A (0.51) HTR5AMAP2K4PARP1KCNQ3KCNQ2
SCHEMBL9907731 0.88 HTR5A (0.67) HTR5AMAP2K4PARP1MAPK14CSNK2A1
SCHEMBL9908017 0.87 HTR5A (0.54) HTR5AMAP2K4ABL1KCNQ3KCNQ2
SCHEMBL9909286 0.86 HTR5A (0.53) HTR5AMAP2K4PARP1KCNQ3KCNQ2
SCHEMBL9907758 0.85 HTR5A (0.43) HTR5AMAP2K4PARP1MAPK14CSNK2A1
SCHEMBL9908022 0.84 MAP2K4 (0.52) HTR5AMAP2K4PARP1MAPK14CSNK2A1
SCHEMBL9908015 0.83 HTR5A (0.45) HTR5AABL1MAPK14CSNK2A1CTSA

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.