SCHEMBL5029623

SCHEMBL5029623

CC(=O)On1c(C)c(Sc2ccc(Cl)cc2)c2c(N)cccc21

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 16/20 0.48
AKR1B1 P15121 7/20 0.48
CYP2C9 P11712 1/20 0.45
SLC6A4 P31645 1/20 0.40
TP53 P04637 2/20 0.38

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
SCHEMBL3767411 0.84 PTGDR2 (0.67) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL5029669 0.83 PTGDR2 (0.45) PTGDR2AKR1B1CYP2C9SLC6A4TP53
SCHEMBL27695720 0.80 PTGDR2 (0.54) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL1405972 0.77 PTGDR2 (0.79) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL11891652 0.76 PTGDR2 (0.61) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL1056786 0.75 PTGDR2 (0.46) PTGDR2AKR1B1CYP2C9
SCHEMBL6511408 0.73 PTGDR2 (0.43) PTGDR2AKR1B1CYP2C9SLC6A4TP53
SCHEMBL28757670 0.66 ALDH1A1 (0.36) PTGDR2AKR1B1CYP2C9SLC6A4TP53
SCHEMBL15015951 0.65 LIPE (0.36) PTGDR2AKR1B1CYP2C9TP53
SCHEMBL15015952 0.65 LIPE (0.36) PTGDR2AKR1B1CYP2C9TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051586-A1 Novel Process for the Preparation of Substituted Indoles ASTRAZENECA AB (SE) 2008-02-28 US disclosed
EP-1844012-A2 NOVEL PROCESS FOR THE PREPARATION OF SUBSTITUTED INDOLES AstraZeneca AB (SE) 2007-10-17 EP disclosed
WO-2006075139-A2 NOVEL PROCESS FOR THE PREPARATION OF SUBSTITUTED INDOLES ASTRAZENECA AB (SE) 2006-07-20 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-20080051586-A1 Novel Process for the Preparation of Substituted Indoles IDO1, IDO2, TPH1 PTGDR2 390/4885AKR1B1 341/4885CYP2C9 124/4885

“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.