SCHEMBL9105434

SCHEMBL9105434

COC(=O)c1ccc2c(C(F)F)cnc(-c3c(F)cccc3F)c2c1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 10/20 0.66
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAP2K4 P45985 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KIF11 P52732 1/20 0.37
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.37
ERN1 O75460 1/20 0.37
MAPK1 P28482 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 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
SCHEMBL9907781 0.91 HTR5A (0.54) HTR5AMAP2K4MAPK1
SCHEMBL9107379 0.91 HTR5A (0.54) HTR5AALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL9907517 0.88 HTR5A (0.63) HTR5AALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL9907777 0.87 HTR5A (0.51) HTR5AALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL9907628 0.86 HTR5A (0.67) HTR5AALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL9907717 0.85 HTR5A (0.71) HTR5AMAP2K4
SCHEMBL9907625 0.85 HTR5A (0.51) HTR5AALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL9907680 0.84 HTR5A (0.50) HTR5AALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL9107764 0.84 HTR5A (0.53) HTR5AALDH1A1ALOX15HTTERN1
SCHEMBL16151820 0.83 HTR5A (0.49) HTR5AALDH1A1KMT2AKDM4ESMN1; SMN2

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 9 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-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
EP-2463276-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2012-06-13 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
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 1/4885ALDH1A1 1799/4885KMT2A 1729/4885

“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.