SCHEMBL9907485

SCHEMBL9907485

N#Cc1cnc(-c2c(F)cc(F)cc2F)c2cc(C(=O)O)ccc12

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 8/20 0.49
XDH P47989 3/20 0.37
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
KCNE1 P15382 1/20 0.37
KCNQ1 P51787 1/20 0.37
LDHA P00338 1/20 0.36
MAPK1 P28482 1/20 0.36
MAP2K4 P45985 1/20 0.36
MAPK6 Q16659 1/20 0.36
SLC22A12 Q96S37 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
SCHEMBL9102282 0.86 HTR5A (0.48) HTR5AKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL9907505 0.84 HTR5A (0.55) HTR5ALDHAMAPK1MAP2K4MAPK6
SCHEMBL9907919 0.84 HTR5A (0.72) HTR5A
SCHEMBL9102403 0.81 HTR5A (0.71) HTR5ALDHAMAPK1
SCHEMBL9908024 0.81 HTR5A (0.52) HTR5ALDHAMAPK1MAP2K4MAPK6
SCHEMBL9907447 0.81 HTR5A (0.58) HTR5ALDHA
SCHEMBL10030418 0.81 HTR5A (0.38) HTR5AMAPK1SLC22A12
SCHEMBL9908025 0.79 HTR5A (0.53) HTR5ALDHA
SCHEMBL10064017 0.74 SLC22A12 (0.39) HTR5ASLC22A12
SCHEMBL9907630 0.74 HTR5A (0.69) HTR5A

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 1/4885XDH 1206/4885KCNQ3 422/4885

“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.