SCHEMBL10030438

SCHEMBL10030438

[C-]#[N+]c1ccc2ccc(C(=O)O)cc2c1-c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
MAOA P21397 1/20 0.40
BLVRB P30043 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PLA2G2D Q9UNK4 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2C Q14957 1/20 0.39
TTR P02766 3/20 0.38
ACMSD Q8TDX5 1/20 0.38
PTGER1 P34995 1/20 0.38
PTPRC P08575 2/20 0.36
ADORA3 P0DMS8 2/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
RAB9A P51151 2/20 0.36
PTK2B Q14289 1/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36

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 0.87 TTR (0.45) CSNK2A2CSNK2BMAOABLVRBHDAC6
SCHEMBL10030420 0.86 TTR (0.39) PLA2G2DTTRACMSDRAB9AMEN1
SCHEMBL10030426 0.85 NPC1 (0.44) ADORA3ADORA2AADORA1RAB9AMEN1
SCHEMBL10030431 0.85 RAB9A (0.41) PLA2G2DGRIN2DGRIN2AGRIN2CTTR
SCHEMBL10030458 0.83 HTR5A (0.55) HTR5A
SCHEMBL10030413 0.83 CSNK2A2 (0.41) CSNK2A2CSNK2BPLA2G2D
SCHEMBL10030447 0.82 GRIN2D (0.43) PLA2G2DGRIN2DGRIN2AGRIN2CRAB9A
SCHEMBL10030409 0.82 PLA2G2D (0.38) PLA2G2DGRIN2DGRIN2AGRIN2CTTR
SCHEMBL10030424 0.81 TTR (0.40) PLA2G2DTTRRAB9APTK2BNPC1
SCHEMBL10030436 0.81 TTR (0.40) PLA2G2DGRIN2DGRIN2AGRIN2CTTR

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 CSNK2A2 4150/4885CSNK2B 4524/4885MAOA 17/4885

“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.