SCHEMBL9909170

SCHEMBL9909170

COc1cc(Cl)ccc1-c1c(Cl)cnc2ccc(C(=O)O)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.47
HTR5A P47898 1/20 0.44
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43
MRGPRX4 Q96LA9 2/20 0.43
LRRK2 Q5S007 1/20 0.41
SCN9A Q15858 2/20 0.41
MAPK1 P28482 1/20 0.41
PIK3CA P42336 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL9909230 0.90 MEN1 (0.44) HTR5ASCN9AMAPK1PIK3CAMAPK8
SCHEMBL9909265 0.86 PDE5A (0.42) HTR5APLGPLAUMRGPRX4LRRK2
SCHEMBL9909240 0.85 HTR5A (0.64) HTR5A
SCHEMBL9907575 0.85 HTR5A (0.47) TTRHTR5AMRGPRX4CYP3A4CSNK2A2
SCHEMBL9909184 0.83 HTR5A (0.45) HTR5APLGPLAUMRGPRX4MAPK1
SCHEMBL12875065 0.81 HTR5A (0.52) HTR5APLGPLAUSCN9AMAPK1
SCHEMBL9909200 0.81 PLAU (0.51) TTRHTR5APLGPLAUMRGPRX4
SCHEMBL9909270 0.80 HTR5A (0.55) HTR5AMRGPRX4MAPK1CYP1A2CYP3A4
SCHEMBL9907601 0.79 HTR5A (0.47) HTR5AMRGPRX4MAPK1NPC1TP53
SCHEMBL9909239 0.79 DHODH (0.43) HTR5APLGPLAULRRK2SCN9A

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 5 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
EP-2463276-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2012-06-13 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 TTR 3634/4885HTR5A 1/4885PLG 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.