SCHEMBL4527759

SCHEMBL4527759

CC(C)Cc1nn(-c2nc(C(=O)Nc3ccccc3N)cs2)c2cc(Cl)ccc12

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 13/20 0.46
TBXA2R P21731 1/20 0.46
PTGER3 P43115 1/20 0.46
HPGD P15428 1/20 0.40
HDAC3 O15379 2/20 0.40
HDAC2 Q92769 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHEK1 O14757 3/20 0.38
HDAC1 Q13547 1/20 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
SCHEMBL4522855 0.84 PTGER1 (0.67) PTGER1TBXA2RPTGER3
SCHEMBL3184281 0.83 PTGER1 (0.54) PTGER1TBXA2RPTGER3
SCHEMBL4534616 0.79 PTGER1 (0.66) PTGER1TBXA2RPTGER3HDAC3HDAC2
SCHEMBL3190116 0.79 PTGER1 (0.51) PTGER1TBXA2RPTGER3LMNA
SCHEMBL4533012 0.78 PTGER1 (0.69) PTGER1TBXA2RPTGER3HDAC3HDAC2
SCHEMBL4535233 0.75 PTGER1 (0.66) PTGER1TBXA2RPTGER3HDAC3HDAC2
SCHEMBL4537317 0.74 PTGER1 (0.68) PTGER1TBXA2RPTGER3HDAC3HDAC2
SCHEMBL4532176 0.73 PTGER1 (0.67) PTGER1TBXA2RPTGER3
SCHEMBL3926265 0.73 PTGER1 (0.68) PTGER1TBXA2RPTGER3HPGDLMNA
SCHEMBL4558616 0.71 PTGER1 (0.72) PTGER1TBXA2RPTGER3

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-20090298866-A1 Indole Compounds GLAXO GROUP LIMITED (GB) 2009-12-03 US disclosed
US-20090298866-A1 Indole Compounds GLAXO GROUP LIMITED (GB) 2009-12-03 US disclosed
US-20090298866-A1 Indole Compounds GLAXO GROUP LIMITED (GB) 2009-12-03 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-20090298866-A1 Indole Compounds IDO1, TPH1, IDO2 PTGER1 317/4885TBXA2R 199/4885PTGER3 361/4885

“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.