SCHEMBL9907473

SCHEMBL9907473

O=C(O)c1cnc2cccc(-c3c(F)cc(F)cc3F)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.47
HTR5A P47898 2/20 0.42
TTR P02766 2/20 0.40
SSTR2 P30874 1/20 0.38
GRM2 Q14416 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
LDHA P00338 1/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
AXL P30530 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PSMD14 O00487 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 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
SCHEMBL9907987 0.83 HTR5A (0.58) HTR5A
SCHEMBL9102182 0.82 ALDH1A1 (0.43) HTR5AMAPTALDH1A1HTTKDM4E
SCHEMBL4221331 0.81 MGAM (0.56) MGAMTTRHCAR2LDHAMAPT
SCHEMBL30251757 0.81 MGAM (0.56) MGAMTTRHCAR2LDHAMAPT
Hydrochloric Acid SCHEMBL6083597 0.80 MGAM (0.54) MGAMTTRHCAR2MAPTMAPK1
SCHEMBL9108194 0.80 HTR5A (0.48) HTR5ATTRMAPTALDH1A1KDM4E
Formaldehyde SCHEMBL9108251 0.77 HTR5A (0.46) HTR5ATTRMAPTALDH1A1KDM4E
SCHEMBL23872148 0.76 HCAR2 (0.46) MGAMHCAR2LDHAALDH1A1KDM4E
SCHEMBL20799520 0.76 MGAM (0.54) MGAMTTRLDHAMAPTMAPK1
SCHEMBL7915822 0.76 PLA2G2D (0.50) HTR5ATTRMEN1KMT2ACSNK2A2

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 MGAM 4124/4885HTR5A 1/4885TTR 3634/4885

“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.