SCHEMBL9909281

SCHEMBL9909281

COc1c(Cl)cccc1-c1ncc(Cl)c2ccc(C(=O)O)cc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.46
PLG P00747 1/20 0.46
HTR5A P47898 4/20 0.43
CTSA P10619 2/20 0.41
SLC22A12 Q96S37 2/20 0.40
MAP4K4 O95819 1/20 0.40
RARG P13631 2/20 0.38
RORC P51449 2/20 0.38
SCN9A Q15858 1/20 0.38
LRRK2 Q5S007 1/20 0.38
NOTUM Q6P988 1/20 0.37
TPMT P51580 1/20 0.37
TTR P02766 2/20 0.37

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
SCHEMBL9106717 0.90 HTR5A (0.42) HTR5ACTSARORCSCN9A
SCHEMBL9925368 0.88 HTR5A (0.47) PLAUPLGHTR5ACTSASCN9A
SCHEMBL9908002 0.84 HTR5A (0.45) PLAUPLGHTR5ASLC22A12MAP4K4
SCHEMBL9907728 0.84 HTR5A (0.46) PLAUPLGHTR5ASLC22A12MAP4K4
SCHEMBL9907662 0.84 HTR5A (0.56) PLAUPLGHTR5ASLC22A12MAP4K4
SCHEMBL9907991 0.83 HTR5A (0.46) PLAUPLGHTR5ASLC22A12MAP4K4
SCHEMBL9907756 0.82 HTR5A (0.50) PLAUPLGHTR5ASLC22A12MAP4K4
SCHEMBL9909315 0.81 HTR5A (0.50) PLAUPLGHTR5ACTSALRRK2
SCHEMBL9907768 0.81 CSNK2A2 (0.52) PLAUPLGHTR5ASLC22A12MAP4K4
SCHEMBL9909177 0.80 PLAU (0.47) PLAUPLGHTR5AMAP4K4

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 4 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
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
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 PLAU 3322/4885PLG 3328/4885HTR5A 1/4885

“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.