SCHEMBL9907436

SCHEMBL9907436

[C-]#[N+]c1ccc(-c2nccc3ccc(C(=O)O)cc23)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.43
RORC P51449 10/20 0.39
ADH5 P11766 2/20 0.37
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
KDM4A O75164 1/20 0.36
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
KMO O15229 2/20 0.36
AXL P30530 1/20 0.34
PLA2G2D Q9UNK4 1/20 0.34
PPARG P37231 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
SCHEMBL9907429 0.87 ALOX15 (0.37) RORCKDM4C
SCHEMBL9907917 0.85 HTR5A (0.51) PLAU
SCHEMBL9907375 0.82 KMO (0.53) PLAURORCCSNK2A2CSNK2BKDM5A
SCHEMBL9909227 0.79 SLC22A12 (0.47) PLAURORCADH5CSNK2A2CSNK2B
SCHEMBL9907384 0.77 PLAU (0.46) PLAUCSNK2A2CSNK2BKDM4AKDM5A
SCHEMBL9907395 0.77 PLAU (0.43) PLAUCSNK2A2CSNK2BKDM4CKDM5B
SCHEMBL9907603 0.74 HTR5A (0.55) RORCCSNK2A2CSNK2BAXLPPARG
SCHEMBL9907318 0.74 PLAU (0.50) PLAUCSNK2A2CSNK2BKDM4AKDM5A
SCHEMBL9907693 0.74 PLAU (0.50) PLAURORCCSNK2A2CSNK2BKDM4A
Hydrochloric Acid SCHEMBL9108278 0.73 PLAU (0.49) PLAUCSNK2A2CSNK2BKDM4AKDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 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-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E PLAU 3322/4885RORC 3704/4885ADH5 98/4885

“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.