SCHEMBL4524841

SCHEMBL4524841

CC(C)Cc1cn(-c2nc(C(=O)Nc3ccccc3N)co2)c2cc(Cl)ccc12

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 16/20 0.67
PTGER3 P43115 4/20 0.51
TBXA2R P21731 3/20 0.49
HDAC1 Q13547 2/20 0.39
HDAC3 O15379 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK8 P45983 1/20 0.37

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) PTGER1PTGER3TBXA2R
SCHEMBL3184185 0.82 PTGER1 (0.81) PTGER1PTGER3TBXA2R
SCHEMBL3192915 0.78 PTGER1 (0.74) PTGER1PTGER3TBXA2R
SCHEMBL4533012 0.77 PTGER1 (0.69) PTGER1PTGER3TBXA2RHDAC1HDAC3
SCHEMBL4535233 0.75 PTGER1 (0.66) PTGER1PTGER3TBXA2RHDAC1HDAC3
SCHEMBL4558617 0.75 PTGER1 (0.51) PTGER1PTGER3TBXA2RMAPK8
SCHEMBL4532176 0.74 PTGER1 (0.67) PTGER1PTGER3TBXA2R
SCHEMBL3926265 0.73 PTGER1 (0.68) PTGER1PTGER3TBXA2RHPGD
SCHEMBL4558616 0.71 PTGER1 (0.72) PTGER1PTGER3TBXA2R
SCHEMBL4519211 0.71 PTGER1 (0.68) PTGER1PTGER3TBXA2R

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 317/4885PTGER3 361/4885TBXA2R 199/4885

“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.