SCHEMBL9908010

SCHEMBL9908010

COc1cccc(C)c1-c1ncc(Cl)c2ccc(C(=O)O)cc12

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 5/20 0.49
PLAU P00749 4/20 0.49
PLG P00747 2/20 0.49
SLC22A12 Q96S37 1/20 0.41
CTSA P10619 3/20 0.41
LRRK2 Q5S007 1/20 0.41
RORC P51449 1/20 0.41
PLAT P00750 1/20 0.40
CHRNA7 P36544 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MRGPRX4 Q96LA9 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
SCHEMBL9909315 0.93 HTR5A (0.50) HTR5APLAUPLGCTSALRRK2
SCHEMBL9907999 0.90 HTR5A (0.48) HTR5APLAUPLGCTSAPLAT
SCHEMBL9907770 0.90 HTR5A (0.55) HTR5APLAUPLGSLC22A12MRGPRX4
SCHEMBL9909268 0.88 HTR5A (0.61) HTR5APLAUPLGCTSALRRK2
SCHEMBL9909291 0.87 HTR5A (0.65) HTR5AHSP90AA1MRGPRX4
SCHEMBL9908038 0.86 HTR5A (0.68) HTR5APLAUPLGPLAT
SCHEMBL9907659 0.84 HTR5A (0.64) HTR5APLAUPLGSLC22A12RORC
SCHEMBL9909298 0.83 HTR5A (0.49) HTR5APLAUPLGPLATHSP90AA1
SCHEMBL9907766 0.81 HTR5A (0.52) HTR5A
SCHEMBL12875044 0.81 HTR5A (0.61) HTR5APLAUPLGCTSARORC

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.