SCHEMBL9908025

SCHEMBL9908025

CCc1cnc(-c2c(F)cc(F)cc2F)c2cc(C(=O)O)ccc12

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 10/20 0.53
ACE2 Q9BYF1 3/20 0.40
LDHA P00338 2/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TTR P02766 1/20 0.36
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 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
SCHEMBL9907684 0.90 HTR5A (0.53) HTR5AACE2NPC1RAB9ASMN1; SMN2
SCHEMBL9908013 0.90 HTR5A (0.53) HTR5AACE2NPC1RAB9ASMN1; SMN2
SCHEMBL9107488 0.87 HTR5A (0.50) HTR5ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL9907505 0.85 HTR5A (0.55) HTR5ALDHA
SCHEMBL9908027 0.85 HTR5A (0.52) HTR5AKDM5AKDM4CKDM5B
SCHEMBL9102403 0.85 HTR5A (0.71) HTR5AACE2LDHARAB9A
SCHEMBL9908049 0.84 HTR5A (0.77) HTR5A
SCHEMBL9908029 0.82 HTR5A (0.57) HTR5ASMN1; SMN2TTR
SCHEMBL9908024 0.82 HTR5A (0.52) HTR5ALDHA
SCHEMBL9907447 0.82 HTR5A (0.58) HTR5ALDHA

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 1/4885ACE2 3336/4885LDHA 4776/4885

“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.