SCHEMBL9909247

SCHEMBL9909247

COc1cc(C#N)ccc1-c1c(C)c(C)nc2ccc(C(=O)N=C(N)N)cc12

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 7/20 0.56
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
PLAU P00749 2/20 0.35
CFB P00751 2/20 0.35
HTR7 P34969 2/20 0.34
HTR2B P41595 2/20 0.34
SCN9A Q15858 1/20 0.34
F7 P08709 1/20 0.34
SLC9A1 P19634 1/20 0.34

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
SCHEMBL9925477 0.91 HTR5A (0.46) HTR5AKDM4EALDH1A1HPGDPLAU
SCHEMBL9909257 0.87 SLC22A12 (0.42) HTR5AKDM4EALDH1A1HPGDCFB
SCHEMBL9909238 0.83 ALDH1A1 (0.47) KDM4EALDH1A1HPGD
SCHEMBL9909242 0.83 HTR5A (0.59) HTR5APLAUSCN9A
SCHEMBL10064021 0.81 HTR5A (0.39) HTR5APLAUHTR7HTR2BSLC9A1
SCHEMBL16509508 0.80 PLAU (0.41) HTR5APLAUHTR7HTR2BSLC9A1
SCHEMBL9909299 0.80 SCN9A (0.45) HTR5APLAUSCN9A
SCHEMBL16494659 0.78 HTR5A (0.42) HTR5APLAUHTR7HTR2BSCN9A
SCHEMBL9909305 0.76 HTR5A (0.70) HTR5AHTR7HTR2BSLC9A1
SCHEMBL16509515 0.76 HTR5A (0.48) HTR5APLAUSLC9A1

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 HTR5A 1/4885KDM4E 1474/4885ALDH1A1 1799/4885

“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.