SCHEMBL9907699

SCHEMBL9907699

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 10/20 0.51
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SCN9A Q15858 1/20 0.40
RORC P51449 1/20 0.40
GABRA5 P31644 1/20 0.39
CSNK2A1 P68400 2/20 0.39
MAPK14 Q16539 2/20 0.39
TP53 P04637 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
CASP3 P42574 1/20 0.38
KMT2A Q03164 1/20 0.38
SENP7 Q9BQF6 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
SCHEMBL9907751 0.92 HTR5A (0.47) HTR5ARORCCSNK2A1MAPK14TP53
SCHEMBL9907687 0.91 HTR5A (0.51) HTR5ANPC1RAB9ARORCCSNK2A1
SCHEMBL9907674 0.91 HTR5A (0.52) HTR5ANPC1RAB9ARORCCSNK2A1
SCHEMBL9908015 0.90 HTR5A (0.45) HTR5ARORCGABRA5CSNK2A1MAPK14
SCHEMBL9907992 0.90 HTR5A (0.50) HTR5ANPC1RAB9ARORCCSNK2A1
SCHEMBL9908018 0.90 HTR5A (0.50) HTR5ANPC1RAB9ARORCCSNK2A1
SCHEMBL9907755 0.90 HTR5A (0.53) HTR5ANPC1RAB9AGABRA5KMT2A
SCHEMBL9907726 0.87 HTR5A (0.55) HTR5ANPC1RAB9ARORCCSNK2A1
SCHEMBL9907729 0.86 HTR5A (0.55) HTR5ARORC
SCHEMBL9907660 0.85 HTR5A (0.60) HTR5ARORCCSNK2A1MAPK14TP53

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
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
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 1/4885NPC1 753/4885RAB9A 293/4885

“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.