SCHEMBL10030433

SCHEMBL10030433

[C-]#[N+]c1ccc2ccc(C(=O)O)cc2c1-c1ccc(C#N)cc1C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 3/20 0.43
ALK Q9UM73 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
EIF4E P06730 1/20 0.37
KDM4C Q9H3R0 2/20 0.35
KDM5A P29375 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
DRD1 P21728 1/20 0.33
EGLN1 Q9GZT9 3/20 0.33
HSP90AB1 P08238 1/20 0.33
PLA2G2D Q9UNK4 1/20 0.33
FASN P49327 1/20 0.33
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
AR P10275 1/20 0.32
XDH P47989 1/20 0.32
PLA2G4A P47712 1/20 0.32
LTB4R Q15722 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
SCHEMBL10030434 0.88 PLAU (0.40) MRGPRX4DRD1EGLN1HSP90AB1
SCHEMBL10030463 0.86 HTR7 (0.38)
SCHEMBL16502653 0.83 SLC22A12 (0.46) SLC22A12ALKMRGPRX4EIF4EKDM4C
SCHEMBL9907622 0.75 TDP1 (0.45) SLC22A12ALKMRGPRX4EIF4EKDM4C
SCHEMBL16502456 0.73 SLC22A12 (0.56) SLC22A12ALKMRGPRX4PLA2G2DRARA
SCHEMBL10030420 0.73 TTR (0.39) KDM4CKDM5AKDM5BPLA2G2D
SCHEMBL10030438 0.72 CSNK2A2 (0.41) PLA2G2D
SCHEMBL10030431 0.72 RAB9A (0.41) SLC22A12PLA2G2D
SCHEMBL10030447 0.72 GRIN2D (0.43) PLA2G2D
SCHEMBL10030436 0.71 TTR (0.40) SLC22A12MRGPRX4PLA2G2D

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 SLC22A12 1219/4885ALK 1827/4885MRGPRX4 2803/4885

“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.