SCHEMBL9907684

SCHEMBL9907684

CCc1cnc(-c2c(F)cccc2F)c2cc(C(=O)O)ccc12

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 10/20 0.53
TTR P02766 1/20 0.42
ACE2 Q9BYF1 2/20 0.40
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
SLC22A12 Q96S37 2/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
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
SCHEMBL9908029 0.92 HTR5A (0.57) HTR5ATTRSLC22A12ALDH1A1SMN1; SMN2
SCHEMBL9908025 0.90 HTR5A (0.53) HTR5ATTRACE2NPC1RAB9A
SCHEMBL16151830 0.90 HTR5A (0.53) HTR5ATTRACE2CSNK2A2CSNK2B
SCHEMBL9908013 0.90 HTR5A (0.53) HTR5AACE2CSNK2A2CSNK2BNPC1
SCHEMBL9907680 0.87 HTR5A (0.50) HTR5ATTRMRGPRX4ALDH1A1NPC1
SCHEMBL9907783 0.86 HTR5A (0.54) HTR5ACSNK2A2CSNK2BALDH1A1LMNA
SCHEMBL9907523 0.85 HTR5A (0.69) HTR5ATTRCSNK2A2CSNK2BMRGPRX4
SCHEMBL9907629 0.85 HTR5A (0.71) HTR5ATTRCSNK2A2CSNK2BSLC22A12
SCHEMBL9907936 0.84 HTR5A (0.78) HTR5A
SCHEMBL9907642 0.82 HTR5A (0.57) HTR5ATTRACE2CSNK2A2CSNK2B

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 1/4885TTR 3634/4885ACE2 3336/4885

“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.