SCHEMBL6113809

SCHEMBL6113809

CC(=O)n1nc(C(N)=O)c2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 16/20 0.69
SCN9A Q15858 1/20 0.49
PLAU P00749 5/20 0.49
F2 P00734 4/20 0.49
POLB P06746 1/20 0.46
EGFR P00533 1/20 0.43
SRC P12931 1/20 0.43

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
SCHEMBL5989502 0.86 ELANE (0.73) ELANESCN9APLAUF2
SCHEMBL2432444 0.81 ELANE (0.74) ELANEPLAUF2
SCHEMBL28076707 0.79 PDGFRA (0.62) ELANEPLAUF2POLB
SCHEMBL260569 0.79 KDM4E (0.60) ELANESCN9AEGFRSRC
SCHEMBL29789796 0.79 KDM4E (0.60) ELANESCN9AEGFRSRC
SCHEMBL726679 0.77 ELANE (0.60) ELANEPLAUF2POLB
SCHEMBL28171820 0.77 ELANE (0.61) ELANESCN9AEGFRSRC
SCHEMBL21958613 0.77 ELANE (0.61) ELANESCN9APLAUF2EGFR
SCHEMBL3428613 0.77 ELANE (0.72) ELANEPLAUF2
SCHEMBL2638010 0.76 ELANE (0.65) ELANEPLAUF2

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-20120130078-A1 INDAZOLE DERIVATIVES AS ADENOSINE MONOPHOSPHATE DEAMINASE (AMPD) INHIBITORS FOR USE IN DIABETES AND RELATED DISEASES OF METABOLIC SYNDROME OCHS RAYMOND S (US) 2012-05-24 US disclosed
US-20120130078-A1 INDAZOLE DERIVATIVES AS ADENOSINE MONOPHOSPHATE DEAMINASE (AMPD) INHIBITORS FOR USE IN DIABETES AND RELATED DISEASES OF METABOLIC SYNDROME OCHS RAYMOND S (US) 2012-05-24 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-20120130078-A1 INDAZOLE DERIVATIVES AS ADENOSINE MONOPHOSPHATE DEAMINASE (AMPD) INHIBITORS FOR USE IN DIABETES AND RELATED DISEASES OF METABOLIC SYNDROME AMPD1, AMPD3, AMPD2 ELANE 3999/4885SCN9A 3313/4885PLAU 2768/4885

“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.