SCHEMBL9909266

SCHEMBL9909266

O=C(O)c1ccc2ncc(C(F)(F)F)c(-c3ccc(F)cc3F)c2c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 2/20 0.53
KDM4A O75164 1/20 0.41
KDM5A P29375 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
KMO O15229 2/20 0.39
AXL P30530 1/20 0.39
RORC P51449 4/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
CYP3A4 P08684 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAP4K4 O95819 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL9909179 0.87 HTR5A (0.49) HTR5ARORCALDH1A1SMN1; SMN2
SCHEMBL9909303 0.85 HTR5A (0.74) HTR5A
SCHEMBL9907497 0.83 HTR5A (0.72) HTR5AKDM4AKDM5AKDM4CKDM5B
SCHEMBL9907400 0.83 HTR5A (0.54) HTR5AKDM4AKDM5AKDM4CKDM5B
SCHEMBL9909235 0.75 NT5E (0.47) HTR5AKDM4AKDM5AKDM4CKDM5B
SCHEMBL9907593 0.75 HTR5A (0.56) HTR5AKDM4AKDM5AKDM4CKDM5B
SCHEMBL9907553 0.73 HTR5A (0.48) HTR5AKDM4AKDM5AKDM4CKDM5B
SCHEMBL9907507 0.73 HTR5A (0.57) HTR5AKDM4AKDM5AKDM4CKDM5B
SCHEMBL9907449 0.72 HTR5A (0.50) HTR5A
SCHEMBL9907598 0.72 HTR5A (0.58) HTR5A

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 3 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-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 1/4885KDM4A 1645/4885KDM5A 172/4885

“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.