SCHEMBL9908014

SCHEMBL9908014

Cc1ccc(F)c(F)c1-c1ncc(Cl)c2ccc(C(=O)O)cc12

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 13/20 0.54
PLAU P00749 3/20 0.42
PLG P00747 1/20 0.40
ADH5 P11766 1/20 0.40
RORC P51449 1/20 0.39
CSNK2A1 P68400 1/20 0.38
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
KCNE1 P15382 1/20 0.38
KCNQ1 P51787 1/20 0.38

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
SCHEMBL9908008 0.87 HTR5A (0.51) HTR5ACSNK2A1
SCHEMBL9907659 0.87 HTR5A (0.64) HTR5APLAUPLGRORC
SCHEMBL9909316 0.86 PLG (0.48) HTR5APLAUPLGRORCKCNQ3
SCHEMBL9908046 0.85 HTR5A (0.75) HTR5A
SCHEMBL9907770 0.85 HTR5A (0.55) HTR5APLAUPLG
SCHEMBL9907511 0.83 HTR5A (0.58) HTR5APLAUPLGCSNK2A1
SCHEMBL9907447 0.83 HTR5A (0.58) HTR5APLAUPLGCSNK2A1
SCHEMBL9907658 0.83 HTR5A (0.71) HTR5APLAURORC
SCHEMBL9908017 0.81 HTR5A (0.54) HTR5APLAUPLGADH5RORC
SCHEMBL9907663 0.81 HTR5A (0.65) HTR5APLAURORC

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 HTR5A 1/4885PLAU 3322/4885PLG 3328/4885

“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.