SCHEMBL10030401

SCHEMBL10030401

[C-]#[N+]c1ccc2ccc(C(=O)O)cc2c1-c1c(F)cccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.45
PLA2G2D Q9UNK4 2/20 0.44
GRIN2D O15399 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2C Q14957 1/20 0.38
PTPN1 P18031 1/20 0.37
SLC16A3 O15427 1/20 0.35
PTK2B Q14289 1/20 0.35
PLAU P00749 1/20 0.35
RORC P51449 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
MAOA P21397 1/20 0.34
BLVRB P30043 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL10030424 0.91 TTR (0.40) TTRPLA2G2DPTK2BRORCRAB9A
SCHEMBL10030436 0.91 TTR (0.40) TTRPLA2G2DGRIN2DGRIN2AGRIN2C
SCHEMBL10030409 0.89 PLA2G2D (0.38) TTRPLA2G2DGRIN2DGRIN2AGRIN2C
SCHEMBL10030444 0.87 SLC22A12 (0.38) TTRPLA2G2DGRIN2DGRIN2AGRIN2C
SCHEMBL10030438 0.87 CSNK2A2 (0.41) TTRPLA2G2DGRIN2DGRIN2AGRIN2C
SCHEMBL10030445 0.85 PLA2G2D (0.35) TTRPLA2G2DGRIN2DGRIN2AGRIN2C
SCHEMBL10030405 0.85 LCK (0.39) PLAUMEN1KMT2AHTTRAB9A
SCHEMBL10030455 0.83 HTR5A (0.53)
SCHEMBL10030447 0.82 GRIN2D (0.43) PLA2G2DGRIN2DGRIN2AGRIN2CPTPN1
SCHEMBL10030437 0.81 BCL2L1 (0.46) TTRPLA2G2DGRIN2DGRIN2AGRIN2C

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 TTR 2555/4885PLA2G2D 1120/4885GRIN2D 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.