SCHEMBL3592829

SCHEMBL3592829

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

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ICMT O60725 8/20 0.41
PTGER1 P34995 5/20 0.40
IRAK4 Q9NWZ3 2/20 0.39
ALDH1A1 P00352 1/20 0.38
XDH P47989 1/20 0.35
KDM4E B2RXH2 1/20 0.34
PDE4B Q07343 1/20 0.34
TBXA2R P21731 1/20 0.34
PTGER3 P43115 1/20 0.34

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
SCHEMBL3594920 0.91 PTGER1 (0.41) ICMTPTGER1IRAK4XDHPDE4B
SCHEMBL3595139 0.91 PTGER1 (0.41) ICMTPTGER1XDHPDE4BTBXA2R
SCHEMBL3596646 0.86 ALDH1A1 (0.44) PTGER1ALDH1A1KDM4E
SCHEMBL3589491 0.82 NPC1 (0.44) PTGER1IRAK4ALDH1A1XDHKDM4E
SCHEMBL3587219 0.81 ALDH1A1 (0.44) ALDH1A1XDHKDM4E
SCHEMBL4354618 0.81 KDM4E (0.36) PTGER1ALDH1A1KDM4EPDE4B
SCHEMBL3603195 0.80 CNR2 (0.42)
SCHEMBL3599804 0.80 HDAC1 (0.40) PTGER1IRAK4XDH
SCHEMBL4037157 0.79 ICMT (0.41) ICMTPTGER1IRAK4PDE4B
SCHEMBL4350902 0.78 ALDH1A1 (0.43) ALDH1A1KDM4E

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 4 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
US-20100004240-A1 Indole Compounds GLAXO GROUP LIMITED (GB) 2010-01-07 US 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 ICMT 441/4885PTGER1 229/4885IRAK4 3924/4885

“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.