SCHEMBL3587219

SCHEMBL3587219

CC(C)Cn1cc(-c2nc(C(=O)Nc3cccnc3)co2)c2cc(Cl)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.43
TP53 P04637 2/20 0.43
PKM P14618 2/20 0.43
KCNMA1 Q12791 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
SHMT2 P34897 1/20 0.43
CYP11B2 P19099 3/20 0.43
NAMPT P43490 2/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP11B1 P15538 1/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LRRK2 Q5S007 1/20 0.40
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL3589491 0.84 NPC1 (0.44) ALDH1A1RAB9ANPC1KCNMA1SMN1; SMN2
SCHEMBL3594920 0.82 PTGER1 (0.41) MAPTXDH
SCHEMBL3595139 0.82 PTGER1 (0.41) XDH
SCHEMBL3599804 0.77 HDAC1 (0.40) RAB9ANPC1MAPTXDH
SCHEMBL4354618 0.73 KDM4E (0.36) ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL4037157 0.72 ICMT (0.41)
SCHEMBL4348472 0.71 PTGS2 (0.39) MAPTKDM4EPOLB
SCHEMBL4350902 0.70 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL13550514 0.69 IRAK4 (0.39) XDH
SCHEMBL3601662 0.69 PDE5A (0.38) XDH

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 ALDH1A1 515/4885RAB9A 1831/4885NPC1 1134/4885

“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.