SCHEMBL9909235

SCHEMBL9909235

O=C(O)c1ccc2nc(C(F)(F)F)cc(-c3ccc(F)cc3F)c2c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NT5E P21589 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.41
CSNK2A1 P68400 2/20 0.41
KMO O15229 2/20 0.40
KDM4A O75164 1/20 0.40
KDM5A P29375 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
NR4A2 P43354 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
AXL P30530 1/20 0.38
HTR5A P47898 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
SCHEMBL9909180 0.87 MAPT (0.47) NT5ESMN1; SMN2
SCHEMBL9909178 0.86 HTR5A (0.51) NT5ESMN1; SMN2CSNK2A1NR4A2HTR5A
SCHEMBL9907531 0.82 HTR5A (0.55) CSNK2A1KMOKDM4AKDM5AKDM4C
SCHEMBL12875050 0.79 HTR5A (0.43) NT5ECYP1A1CYP1B1GPBAR1HTR5A
SCHEMBL9909266 0.75 HTR5A (0.53) SMN1; SMN2KMOKDM4AKDM5AKDM4C
SCHEMBL9909164 0.74 HTR5A (0.49) NT5ESMN1; SMN2HTR5A
SCHEMBL9907614 0.73 SLC22A12 (0.53) CSNK2A1KMOKDM4AKDM5AKDM4C
SCHEMBL11669211 0.73 DHODH (0.56) NT5E
SCHEMBL9907593 0.72 HTR5A (0.56) SMN1; SMN2KMOKDM4AKDM5AKDM4C
SCHEMBL9909302 0.72 HTR5A (0.73) NT5EHTR5A

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 NT5E 266/4885SMN1; SMN2 3684/4885CSNK2A1 4309/4885

“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.