SCHEMBL9907759

SCHEMBL9907759

COC(=O)c1ccc2c(Cl)cnc(-c3ccc(C)cc3F)c2c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 7/20 0.54
HDAC1 Q13547 4/20 0.43
RORC P51449 2/20 0.42
GABRA5 P31644 1/20 0.41
CSNK2A1 P68400 2/20 0.39
TTR P02766 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
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
KDM1A O60341 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
CYP46A1 Q9Y6A2 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
SCHEMBL9907731 0.90 HTR5A (0.67) HTR5ARORCGABRA5CSNK2A1MAPT
SCHEMBL9907714 0.90 HTR5A (0.55) HTR5ARORCGABRA5CSNK2A1TTR
SCHEMBL9907679 0.90 HTR5A (0.44) HTR5ACSNK2A1TDP1MEN1MAPT
SCHEMBL9907994 0.88 HTR5A (0.53) HTR5ARORCCSNK2A1MEN1MAPT
SCHEMBL9907744 0.87 HTR5A (0.52) HTR5ARORCCSNK2A1TTRMEN1
SCHEMBL9907769 0.87 HTR5A (0.57) HTR5AHDAC1RORC
SCHEMBL9907674 0.86 HTR5A (0.52) HTR5ARORCCSNK2A1MEN1MAPT
SCHEMBL9907675 0.84 HTR5A (0.54) HTR5ACSNK2A1MEN1MAPTKMT2A
SCHEMBL9907668 0.84 HTR5A (0.49) HTR5ARORCCSNK2A1MEN1MAPT
SCHEMBL9908020 0.84 HTR5A (0.48) HTR5ACSNK2A1TTRMEN1MAPT

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 1/4885HDAC1 301/4885RORC 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.