SCHEMBL9909178

SCHEMBL9909178

O=C(O)c1ccc2nc(C(F)(F)F)cc(-c3c(F)cc(F)cc3F)c2c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 2/20 0.51
NT5E P21589 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.42
IP6K1 Q92551 1/20 0.38
IP6K3 Q96PC2 1/20 0.38
IP6K2 Q9UHH9 1/20 0.38
NR4A2 P43354 1/20 0.37
CSNK2A1 P68400 1/20 0.37
PLA2G2D Q9UNK4 1/20 0.36
GRM2 Q14416 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL9909164 0.87 HTR5A (0.49) HTR5ANT5ESMN1; SMN2TDP1
SCHEMBL9909235 0.86 NT5E (0.47) HTR5ANT5ESMN1; SMN2NR4A2CSNK2A1
SCHEMBL9909302 0.85 HTR5A (0.73) HTR5ANT5E
SCHEMBL9907333 0.82 HTR5A (0.72) HTR5ASMN1; SMN2IP6K1IP6K3IP6K2
SCHEMBL9109054 0.80 GRM2 (0.60) HTR5AGRM2
SCHEMBL12875049 0.79 HTR5A (0.56) HTR5ANT5EGRM2
SCHEMBL9907513 0.79 HTR5A (0.50) HTR5ASMN1; SMN2IP6K1IP6K3IP6K2
SCHEMBL9907541 0.79 HTR5A (0.53) HTR5ASMN1; SMN2NR4A2CSNK2A1GRM2
SCHEMBL9909166 0.79 HTR5A (0.50) HTR5ANR4A2CSNK2A1GRM2TDP1
SCHEMBL9108194 0.77 HTR5A (0.48) HTR5AIP6K1IP6K3IP6K2NR4A2

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 1/4885NT5E 266/4885SMN1; SMN2 3684/4885

“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.