SCHEMBL8042375

SCHEMBL8042375

Cc1nc(C)c(O)c(Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.40
NQO2 P16083 1/20 0.31
PDK2 Q15119 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL8055181 0.86 TDP1 (0.35) EGLN1PDK2TDP1
SCHEMBL3608280 0.80 EGLN1 (0.42) EGLN1NQO2
SCHEMBL16247844 0.79 ALDH1A1 (0.35) NQO2
SCHEMBL10376639 0.72 LMNA (0.50) PDK2TDP1
SCHEMBL31347383 0.72 EGLN1 (0.38) EGLN1NQO2
SCHEMBL1830615 0.72 PDE10A (0.37) PDK2TDP1
SCHEMBL4446227 0.69 ALDH1A1 (0.41) NQO2
SCHEMBL15055302 0.68 LMNA (0.37) PDK2TDP1
SCHEMBL22655948 0.68 TDP1 (0.31) TDP1
SCHEMBL10813311 0.68 PDE10A (0.34) PDK2TDP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156811-A1 Process for the Preparation of Bosentan DIPHARMA FRANCIS S.R.L. (IT) 2009-06-18 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-20090156811-A1 Process for the Preparation of Bosentan PAH, HBB, HBZ EGLN1 314/4885NQO2 2698/4885PDK2 3614/4885

“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.