SCHEMBL3594920

SCHEMBL3594920

CC(C)Cn1cc(-c2nc(C(=O)Cl)co2)c2cc(Cl)ccc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 4/20 0.41
ICMT O60725 3/20 0.38
XDH P47989 1/20 0.35
PDE4B Q07343 1/20 0.35
TBXA2R P21731 1/20 0.35
PTGER3 P43115 1/20 0.35
IRAK4 Q9NWZ3 2/20 0.34
MAPT P10636 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
PTGS2 P35354 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL3595139 0.92 PTGER1 (0.41) PTGER1ICMTXDHPDE4BTBXA2R
SCHEMBL3592829 0.91 ICMT (0.41) PTGER1ICMTXDHPDE4BTBXA2R
SCHEMBL3596646 0.87 ALDH1A1 (0.44) PTGER1
SCHEMBL3589491 0.83 NPC1 (0.44) PTGER1XDHIRAK4
SCHEMBL3587219 0.82 ALDH1A1 (0.44) XDHMAPT
SCHEMBL4354618 0.82 KDM4E (0.36) PTGER1PDE4BPTGS2HDAC1HDAC8
SCHEMBL3603195 0.81 CNR2 (0.42)
SCHEMBL4037157 0.80 ICMT (0.41) PTGER1ICMTPDE4BIRAK4HDAC1
SCHEMBL3599804 0.79 HDAC1 (0.40) PTGER1XDHIRAK4MAPTSCN5A
SCHEMBL4350902 0.79 ALDH1A1 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004240-A1 Indole Compounds GLAXO GROUP LIMITED (GB) 2010-01-07 US disclosed
US-20100004240-A1 Indole Compounds GLAXO GROUP LIMITED (GB) 2010-01-07 US disclosed
EP-2041127-A2 INDOLE COMPOUNDS Glaxo Group Limited (GB) 2009-04-01 EP disclosed
WO-2008006795-A2 INDOLE COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-01-17 WO disclosed
WO-2008006795-A2 INDOLE COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-01-17 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-20100004240-A1 Indole Compounds IDO1, TPH1, IDO2 PTGER1 229/4885ICMT 441/4885XDH 1251/4885

“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.