SCHEMBL3589491

SCHEMBL3589491

CC(C)Cn1cc(-c2nc(C(=O)Nc3ccccn3)co2)c2cc(Cl)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 1/20 0.44
SHMT2 P34897 2/20 0.42
KCNMA1 Q12791 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
CNR2 P34972 1/20 0.39
IRAK4 Q9NWZ3 2/20 0.39
FFAR2 O15552 1/20 0.39
MAP3K5 Q99683 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
XIAP P98170 1/20 0.38
BIRC2 Q13490 1/20 0.38
XDH P47989 1/20 0.37

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
SCHEMBL3587219 0.84 ALDH1A1 (0.44) NPC1RAB9AALDH1A1SHMT2KCNMA1
SCHEMBL3595139 0.83 PTGER1 (0.41) KMT2AXDHPTGER1
SCHEMBL3594920 0.83 PTGER1 (0.41) IRAK4XDHPTGER1
SCHEMBL3592829 0.82 ICMT (0.41) ALDH1A1KDM4EIRAK4XDHPTGER1
SCHEMBL3596646 0.79 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDALOX15TSHR
SCHEMBL3603195 0.78 CNR2 (0.42) CNR2
SCHEMBL3599804 0.78 HDAC1 (0.40) NPC1RAB9AIRAK4KMT2AMEN1
SCHEMBL4354618 0.74 KDM4E (0.36) ALDH1A1KDM4EHPGDALOX15TSHR
SCHEMBL4348472 0.73 PTGS2 (0.39) KDM4EGAAIRAK4KMT2AMEN1
SCHEMBL4037157 0.72 ICMT (0.41) IRAK4PTGER1

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

“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.