SCHEMBL10030409

SCHEMBL10030409

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2D Q9UNK4 1/20 0.38
HTR5A P47898 2/20 0.37
GRIN2D O15399 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2C Q14957 1/20 0.35
PLAU P00749 1/20 0.35
LMNA P02545 2/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
TTR P02766 2/20 0.33
BCL2L1 Q07817 1/20 0.33
BAD Q92934 1/20 0.33
PTK2B Q14289 1/20 0.32
KDM4E B2RXH2 3/20 0.32
HSD17B10 Q99714 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ENPP2 Q13822 1/20 0.32
HCAR1 Q9BXC0 1/20 0.32

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
SCHEMBL10030401 0.89 TTR (0.45) PLA2G2DGRIN2DGRIN2AGRIN2CPLAU
SCHEMBL10030445 0.87 PLA2G2D (0.35) PLA2G2DGRIN2DGRIN2AGRIN2CPLAU
SCHEMBL10030444 0.87 SLC22A12 (0.38) PLA2G2DHTR5AGRIN2DGRIN2AGRIN2C
SCHEMBL10030420 0.86 TTR (0.39) PLA2G2DHTR5ALMNARAB9ATTR
SCHEMBL10030408 0.85 MAPT (0.41) HTR5ALMNAMAPK1HTTRAB9A
SCHEMBL10030437 0.84 BCL2L1 (0.46) PLA2G2DGRIN2DGRIN2AGRIN2CPLAU
SCHEMBL10030451 0.83 HTR5A (0.55) HTR5A
SCHEMBL10030438 0.82 CSNK2A2 (0.41) PLA2G2DHTR5AGRIN2DGRIN2AGRIN2C
SCHEMBL10030436 0.81 TTR (0.40) PLA2G2DHTR5AGRIN2DGRIN2AGRIN2C
SCHEMBL10030424 0.81 TTR (0.40) PLA2G2DHTR5ARAB9ATTRPTK2B

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 1120/4885HTR5A 1/4885GRIN2D 65/4885

“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.