SCHEMBL9907451

SCHEMBL9907451

Cc1cnc2ccc(C(=O)O)cc2c1-c1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 4/20 0.49
CSNK2A2 P19784 2/20 0.46
CSNK2B P67870 2/20 0.46
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PTGFR P43088 1/20 0.43
DHODH Q02127 3/20 0.41
DHFR P00374 1/20 0.41
ALKBH5 Q6P6C2 1/20 0.41
MGAM O43451 1/20 0.40
PTGER1 P34995 1/20 0.39
MAOA P21397 1/20 0.39
BLVRB P30043 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL9907481 0.88 HTR5A (0.40) HTR5ACSNK2A2CSNK2BLMNASMN1; SMN2
SCHEMBL9907401 0.87 HTR5A (0.46) HTR5ACSNK2A2CSNK2BDHODH
SCHEMBL9907444 0.87 HTR5A (0.47) HTR5ALMNASMN1; SMN2
SCHEMBL9907400 0.86 HTR5A (0.54) HTR5ADHODH
SCHEMBL9907494 0.85 HTR5A (0.55) HTR5ACSNK2A2CSNK2BLMNASMN1; SMN2
SCHEMBL9907448 0.84 HTR5A (0.47) HTR5ALMNASMN1; SMN2PTGFR
SCHEMBL9907833 0.84 HTR5A (0.72) HTR5A
SCHEMBL9907360 0.83 ALDH1A1 (0.50) LMNASMN1; SMN2MGAM
SCHEMBL9907361 0.82 HTR5A (0.49) HTR5ALMNA
SCHEMBL9907737 0.81 HTR5A (0.71) HTR5ACSNK2A2CSNK2BPTGFRDHODH

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 6 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
EP-2463276-B1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2014-03-12 EP 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 1/4885CSNK2A2 4132/4885CSNK2B 4303/4885

“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.