SCHEMBL9907776

SCHEMBL9907776

COC(=O)c1ccc2c(C=O)cnc(-c3ccccc3F)c2c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 5/20 0.54
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ERN1 O75460 5/20 0.43
MAPT P10636 1/20 0.41
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KIF11 P52732 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
PDK2 Q15119 2/20 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
SCHEMBL9907636 0.91 HTR5A (0.64) HTR5ANPC1RAB9AMAPTALDH1A1
SCHEMBL9907773 0.90 HTR5A (0.50) HTR5ANPC1RAB9AMAPTALDH1A1
SCHEMBL9107764 0.87 HTR5A (0.53) HTR5AHCRTR1HCRTR2ERN1ALDH1A1
SCHEMBL9907722 0.85 HTR5A (0.52) HTR5ANPC1RAB9AMAPTALDH1A1
SCHEMBL9907674 0.85 HTR5A (0.52) HTR5ANPC1RAB9AMAPTALDH1A1
SCHEMBL9907775 0.84 HTR5A (0.51) HTR5ANPC1RAB9AMAPTALDH1A1
SCHEMBL9907777 0.84 HTR5A (0.51) HTR5ANPC1RAB9AMAPTALDH1A1
SCHEMBL9925379 0.83 HTR5A (0.55) HTR5ANPC1RAB9AMAPTALDH1A1
SCHEMBL9907780 0.83 HTR5A (0.53) HTR5AHCRTR1HCRTR2ERN1ALDH1A1
SCHEMBL9109070 0.83 HTR5A (0.50) HTR5AHCRTR1HCRTR2ERN1MAPT

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 1/4885HCRTR1 708/4885HCRTR2 343/4885

“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.