SCHEMBL9908016

SCHEMBL9908016

Cc1cccc(-c2ncc(Cl)c3ccc(C(=O)O)cc23)c1F

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 8/20 0.47
SLC22A12 Q96S37 3/20 0.42
PLAU P00749 3/20 0.42
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
RORC P51449 2/20 0.41
CTSA P10619 1/20 0.40
PLG P00747 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
GRIN2B Q13224 1/20 0.39

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
SCHEMBL9907756 0.89 HTR5A (0.50) HTR5ASLC22A12PLAURORCPLG
SCHEMBL9907729 0.88 HTR5A (0.55) HTR5APLAUCSNK2A2CSNK2BRORC
SCHEMBL9907768 0.88 CSNK2A2 (0.52) HTR5ASLC22A12PLAUCSNK2A2CSNK2B
SCHEMBL9908015 0.88 HTR5A (0.45) HTR5ARORCCTSAGRIN2B
SCHEMBL9908019 0.86 HTR5A (0.53) HTR5ASLC22A12PLAUCSNK2A2CSNK2B
SCHEMBL9908047 0.85 HTR5A (0.69) HTR5A
SCHEMBL9908002 0.84 HTR5A (0.45) HTR5ASLC22A12PLAUCSNK2A2CSNK2B
SCHEMBL9907770 0.84 HTR5A (0.55) HTR5ASLC22A12PLAUCSNK2A2CSNK2B
SCHEMBL9907659 0.84 HTR5A (0.64) HTR5ASLC22A12PLAURORCPLG
SCHEMBL9907681 0.83 HTR5A (0.56) HTR5APLAUCSNK2A2CSNK2BRORC

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 6 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-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
EP-2463276-B1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2014-03-12 EP disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 US disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 US disclosed
WO-2011016504-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2011-02-10 WO 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 1/4885SLC22A12 1751/4885PLAU 3322/4885

“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.