SCHEMBL9907628

SCHEMBL9907628

COC(=O)c1ccc2c(C)cnc(-c3c(F)cccc3F)c2c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 9/20 0.67
NR1H2 P55055 2/20 0.43
NR1H3 Q13133 1/20 0.43
IL2 P60568 3/20 0.40
NOTUM Q6P988 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TTR P02766 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAP2K4 P45985 1/20 0.39
DYRK1A Q13627 1/20 0.39

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
SCHEMBL9909193 0.92 HTR5A (0.58) HTR5ANR1H2NR1H3IL2KDM4E
SCHEMBL9907743 0.92 HTR5A (0.58) HTR5ANR1H2NR1H3IL2KDM4E
SCHEMBL9907748 0.90 HTR5A (0.55) HTR5ANR1H2NR1H3NOTUMKDM4E
SCHEMBL9907502 0.90 HTR5A (0.67) HTR5ANR1H2NR1H3NOTUMKDM4E
SCHEMBL9907517 0.90 HTR5A (0.63) HTR5AKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL9907635 0.88 HTR5A (0.59) HTR5ANR1H2IL2NOTUM
SCHEMBL9907625 0.87 HTR5A (0.51) HTR5ANOTUMKDM4EL3MBTL1ALDH1A1
SCHEMBL9907629 0.86 HTR5A (0.71) HTR5ATTR
SCHEMBL9107379 0.86 HTR5A (0.54) HTR5AKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL9105434 0.86 HTR5A (0.66) HTR5AKDM4EMAPK1ALDH1A1KMT2A

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 1/4885NR1H2 705/4885NR1H3 911/4885

“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.