SCHEMBL4537847

SCHEMBL4537847

CC(C)Cc1cn(-c2nc(NC(=O)c3ccc(C#N)cc3)cs2)c2cc(Cl)ccc12

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 19/20 0.58
PTGER3 P43115 6/20 0.58
TBXA2R P21731 4/20 0.58
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
CRHBP P24387 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
CRHR2 Q13324 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL14313626 0.89 PTGER1 (0.61) PTGER1PTGER3TBXA2RMEN1ALDH1A1
SCHEMBL4524612 0.89 PTGER1 (0.62) PTGER1PTGER3TBXA2RMEN1ALDH1A1
SCHEMBL4522818 0.88 PTGER1 (0.60) PTGER1PTGER3TBXA2RMEN1ALDH1A1
SCHEMBL4532486 0.87 PTGER1 (0.59) PTGER1PTGER3TBXA2RMEN1ALDH1A1
SCHEMBL3929525 0.85 PTGER1 (0.56) PTGER1PTGER3TBXA2RMEN1ALDH1A1
SCHEMBL4527234 0.84 PTGER1 (0.68) PTGER1PTGER3TBXA2R
SCHEMBL4170632 0.83 PTGER1 (0.58) PTGER1PTGER3TBXA2RSMN1; SMN2
SCHEMBL4560288 0.82 PTGER1 (0.65) PTGER1PTGER3TBXA2R
SCHEMBL4162917 0.81 PTGER1 (0.60) PTGER1PTGER3TBXA2R
SCHEMBL13602648 0.79 PTGER1 (0.61) 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.