SCHEMBL10030445

SCHEMBL10030445

[C-]#[N+]c1ccc2ccc(C(=O)O)cc2c1-c1c(F)cc(CO)cc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2D Q9UNK4 2/20 0.35
ACE2 Q9BYF1 3/20 0.32
PLAU P00749 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2C Q14957 1/20 0.32
RARB P10826 1/20 0.32
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
PTPN1 P18031 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
PRKAB2 O43741 1/20 0.30
PRKAG1 P54619 1/20 0.30
PRKAA2 P54646 1/20 0.30
PRKAA1 Q13131 1/20 0.30
PRKAG3 Q9UGI9 1/20 0.30
PRKAG2 Q9UGJ0 1/20 0.30
PRKAB1 Q9Y478 1/20 0.30

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
SCHEMBL10030409 0.87 PLA2G2D (0.38) PLA2G2DPLAUGRIN2DGRIN2AGRIN2C
SCHEMBL10030400 0.86 MEN1 (0.37) PLAUMAPK1
SCHEMBL10030401 0.85 TTR (0.45) PLA2G2DPLAUGRIN2DGRIN2AGRIN2C
SCHEMBL10030465 0.84 HTR5A (0.44)
SCHEMBL10030444 0.82 SLC22A12 (0.38) PLA2G2DPLAUGRIN2DGRIN2AGRIN2C
SCHEMBL10064020 0.78 MRGPRX4 (0.39) PLA2G2D
SCHEMBL10030438 0.78 CSNK2A2 (0.41) PLA2G2DGRIN2DGRIN2AGRIN2CHTT
SCHEMBL10030436 0.77 TTR (0.40) PLA2G2DPLAUGRIN2DGRIN2AGRIN2C
SCHEMBL10030424 0.77 TTR (0.40) PLA2G2DRAB9ATTR
SCHEMBL10030437 0.77 BCL2L1 (0.46) PLA2G2DPLAUGRIN2DGRIN2AGRIN2C

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041036-A1 SUBSTITUTED ACYLGUANIDINE DERIVATIVES (AS AMENDED) ASTELLAS PHARMA INC. (JP) 2012-02-16 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-20120041036-A1 SUBSTITUTED ACYLGUANIDINE DERIVATIVES (AS AMENDED) HTR5A, HTR2A, HTR1A PLA2G2D 1120/4885ACE2 2192/4885PLAU 3653/4885

“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.