SCHEMBL9908017

SCHEMBL9908017

Cc1ccc(F)cc1-c1ncc(Cl)c2ccc(C(=O)O)cc12

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 8/20 0.54
PLAU P00749 3/20 0.40
PLG P00747 1/20 0.40
ABL1 P00519 4/20 0.40
MAPK1 P28482 1/20 0.38
MAP2K4 P45985 1/20 0.38
MAPK6 Q16659 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
RORC P51449 1/20 0.38
ADH5 P11766 1/20 0.38
RARA P10276 1/20 0.38
RARB P10826 1/20 0.38
RARG P13631 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
SCHEMBL9907678 0.91 HTR5A (0.57) HTR5APLAUPLGMAPK1MAP2K4
SCHEMBL9907750 0.88 HTR5A (0.59) HTR5APLAUPLGMAPK1MAP2K4
SCHEMBL9908003 0.87 HTR5A (0.52) HTR5AABL1MAP2K4KCNQ3KCNQ2
SCHEMBL9907688 0.86 HTR5A (0.60) HTR5APLAUPLGMAPK1MAP2K4
SCHEMBL9907733 0.85 HTR5A (0.72) HTR5APLAURORCADH5
SCHEMBL9909295 0.85 PLG (0.54) HTR5APLAUPLGMAPK1KCNQ3
SCHEMBL9908036 0.85 HTR5A (0.77) HTR5A
SCHEMBL9907768 0.84 CSNK2A2 (0.52) HTR5APLAUPLG
SCHEMBL9909194 0.83 HTR5A (0.54) HTR5APLAUPLGMAPK1KCNQ3
SCHEMBL9908016 0.82 HTR5A (0.47) HTR5APLAUPLGRORC

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.