SCHEMBL9908018

SCHEMBL9908018

COC(=O)c1ccc2c(Cl)cnc(-c3cccc(F)c3C)c2c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 10/20 0.50
TP53 P04637 1/20 0.42
RORC P51449 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CD274 Q9NZQ7 2/20 0.40
IL2 P60568 1/20 0.39
CSNK2A1 P68400 2/20 0.38
MAPK14 Q16539 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 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
SCHEMBL9907699 0.90 HTR5A (0.51) HTR5ATP53RORCNPC1RAB9A
SCHEMBL9907687 0.90 HTR5A (0.51) HTR5ATP53RORCNPC1RAB9A
SCHEMBL9907674 0.90 HTR5A (0.52) HTR5ARORCNPC1RAB9ACSNK2A1
SCHEMBL9907989 0.90 TP53 (0.49) HTR5ATP53CSNK2A1
SCHEMBL9907992 0.89 HTR5A (0.50) HTR5ATP53RORCNPC1RAB9A
SCHEMBL9908019 0.88 HTR5A (0.53) HTR5ARORC
SCHEMBL9908015 0.87 HTR5A (0.45) HTR5ATP53RORCCSNK2A1MAPK14
SCHEMBL9907751 0.87 HTR5A (0.47) HTR5ATP53RORCCSNK2A1MAPK14
SCHEMBL9907656 0.85 HTR5A (0.61) HTR5ATP53RORCCSNK2A1MAPK14
SCHEMBL9907660 0.84 HTR5A (0.60) HTR5ATP53RORCCSNK2A1MAPK14

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-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
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 1/4885TP53 3013/4885RORC 3704/4885

“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.