SCHEMBL9907405

SCHEMBL9907405

[C-]#[N+]c1ccc(-c2ccnc3ccc(C(=O)OC)cc23)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.43
HTT P42858 1/20 0.43
TGFBR1 P36897 1/20 0.42
DYRK1A Q13627 1/20 0.38
PAX8 Q06710 1/20 0.38
KDM4E B2RXH2 5/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 3/20 0.38
SLC2A1 P11166 1/20 0.38
TP53 P04637 1/20 0.38
KDM6B O15054 1/20 0.37
KDM5C P41229 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37
KDM3A Q9Y4C1 1/20 0.37
CREBBP Q92793 2/20 0.37
GAA P10253 1/20 0.36
ALDH1A1 P00352 2/20 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
SCHEMBL9907407 0.87 CYP19A1 (0.38) HTTDYRK1AKDM4EKDM4CALDH1A1
SCHEMBL9907398 0.85 ALOX15 (0.46) ALOX15HTTTGFBR1DYRK1AKDM4E
SCHEMBL9907818 0.82 HTR5A (0.44)
SCHEMBL9907404 0.81 ALOX15 (0.52) ALOX15HTTTGFBR1DYRK1AKDM4E
SCHEMBL9907567 0.81 HTR5A (0.41) ALOX15HTTPAX8KDM4ETSHR
SCHEMBL9907341 0.80 HTT (0.48) ALOX15HTTTGFBR1DYRK1AKDM4E
SCHEMBL9907324 0.76 ALOX15 (0.57) ALOX15HTTTGFBR1DYRK1APAX8
SCHEMBL9907399 0.76 ALOX15 (0.46) ALOX15HTTTGFBR1DYRK1AKDM4E
SCHEMBL9907676 0.75 HTR5A (0.40) DYRK1APAX8KDM4EMAPTSLC2A1
SCHEMBL9907393 0.75 HTT (0.51) ALOX15HTTTGFBR1DYRK1AKDM4E

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 2 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-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 US 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 ALOX15 1101/4885HTT 970/4885TGFBR1 3632/4885

“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.