SCHEMBL9909270

SCHEMBL9909270

COc1ccc(-c2c(Cl)cnc3ccc(C(=O)O)cc23)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 1/20 0.55
PRKAB2 O43741 2/20 0.46
PRKAG1 P54619 2/20 0.46
PRKAA2 P54646 2/20 0.46
PRKAA1 Q13131 2/20 0.46
PRKAG3 Q9UGI9 2/20 0.46
PRKAG2 Q9UGJ0 2/20 0.46
PRKAB1 Q9Y478 2/20 0.46
CTSA P10619 1/20 0.42
KDM4E B2RXH2 2/20 0.42
GRM2 Q14416 1/20 0.42
LMNA P02545 2/20 0.42
IP6K1 Q92551 1/20 0.40
IP6K3 Q96PC2 1/20 0.40
IP6K2 Q9UHH9 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
PHLPP2 Q6ZVD8 1/20 0.39
AMY1A P0DUB6 1/20 0.39
HTT P42858 2/20 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
SCHEMBL9909256 0.90 HTR5A (0.54) HTR5APRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL9909184 0.90 HTR5A (0.45) HTR5AKDM4ELMNAIP6K1IP6K3
SCHEMBL9909248 0.86 HTR5A (0.77) HTR5AGRM2
SCHEMBL9907599 0.85 HTR5A (0.58) HTR5AKDM4EGRM2IP6K1IP6K3
SCHEMBL9907497 0.85 HTR5A (0.72) HTR5A
SCHEMBL9907995 0.83 HTR5A (0.54) HTR5APRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL9909183 0.83 ALDH1A1 (0.50) KDM4ELMNAIP6K1IP6K3IP6K2
SCHEMBL9907494 0.82 HTR5A (0.55) HTR5ALMNACSNK2A2
SCHEMBL9907603 0.80 HTR5A (0.55) HTR5ACSNK2A2CSNK2A1
SCHEMBL9909253 0.80 HTR5A (0.55) HTR5AMRGPRX4ATM

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 4 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
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
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 1/4885PRKAB2 3158/4885PRKAG1 1661/4885

“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.