SCHEMBL4576705

SCHEMBL4576705

CSc1nc(NC(=O)c2ccc(I)cc2)c(C(=O)O)n1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.41
ADORA3 P0DMS8 5/20 0.40
LMNA P02545 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 4/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 2/20 0.39
HPGD P15428 2/20 0.39
P2RX3 P56373 1/20 0.37
TP53 P04637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.36
HCAR1 Q9BXC0 1/20 0.36
NPC1 O15118 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL4576546 0.89 PTGS2 (0.49) PTGS2ADORA3LMNAKMT2AMEN1
SCHEMBL13325184 0.87 ALDH1A1 (0.46) LMNAKMT2AMEN1POLBMAPT
SCHEMBL4576936 0.87 ADORA3 (0.49) ADORA3LMNAKMT2AMAPTALDH1A1
SCHEMBL4575724 0.84 MEN1 (0.40) PTGS2ADORA3KMT2AMEN1MAPT
SCHEMBL3287632 0.78 ALDH1A1 (0.43) PTGS2LMNAKMT2AMEN1POLB
SCHEMBL13325326 0.78 RAB9A (0.47) LMNAPOLBMAPTALDH1A1RAB9A
SCHEMBL13325145 0.77 ALDH1A1 (0.46) PTGS2LMNAKMT2AMEN1MAPT
SCHEMBL3288354 0.76 PTGS2 (0.44) PTGS2ADORA3LMNAKMT2AMEN1
SCHEMBL13325171 0.76 ALDH1A1 (0.48) ADORA3MAPTALDH1A1HPGDP2RX3
SCHEMBL3284471 0.75 SMN1; SMN2 (0.44) PTGS2ADORA3LMNAKMT2AMEN1

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-20080269216-A1 Imidazole Variants as Modulators of Gaba Receptor For the Treatment of Gi Disorders ASTRAZENECA AB (SE) 2008-10-30 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-20080269216-A1 Imidazole Variants as Modulators of Gaba Receptor For the Treatment of Gi Disorders GABRB1, GABBR2, GABBR1 PTGS2 405/4885ADORA3 620/4885LMNA 4323/4885

“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.