SCHEMBL9907751

SCHEMBL9907751

COC(=O)c1ccc2c(Cl)cnc(-c3cccc(Cl)c3F)c2c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 7/20 0.47
TP53 P04637 2/20 0.41
RORC P51449 1/20 0.41
CSNK2A1 P68400 2/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
KMO O15229 1/20 0.39
NR1H4 Q96RI1 2/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPK14 Q16539 1/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CTSA P10619 1/20 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
SCHEMBL9907699 0.92 HTR5A (0.51) HTR5ATP53RORCCSNK2A1MAPT
SCHEMBL9907726 0.92 HTR5A (0.55) HTR5ATP53RORCCSNK2A1NR1H2
SCHEMBL9908015 0.91 HTR5A (0.45) HTR5ATP53RORCCSNK2A1NR1H2
SCHEMBL9907698 0.88 HTR5A (0.43) HTR5ATP53RORCCSNK2A1NR1H2
SCHEMBL9907661 0.88 HTR5A (0.52) HTR5ATP53CSNK2A1MAPTALDH1A1
SCHEMBL9907687 0.88 HTR5A (0.51) HTR5ATP53RORCCSNK2A1MAPT
SCHEMBL9107174 0.87 HTR5A (0.43) HTR5ATP53RORCCSNK2A1NR1H2
SCHEMBL9907989 0.87 TP53 (0.49) HTR5ATP53CSNK2A1NR1H2NR1H3
SCHEMBL9907674 0.87 HTR5A (0.52) HTR5ARORCCSNK2A1MAPTALDH1A1
SCHEMBL9907992 0.87 HTR5A (0.50) HTR5ATP53RORCCSNK2A1ALDH1A1

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
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
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 1/4885TP53 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.