SCHEMBL6406733

SCHEMBL6406733

NC(=O)N1C(=O)[N]C(=O)c2ccc(Cl)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 2/20 0.35
PPOX P50336 1/20 0.35
ALDH1A1 P00352 5/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
IDO2 Q6ZQW0 1/20 0.35
S100A4 P26447 1/20 0.34
KDM4E B2RXH2 5/20 0.33
ALPL P05186 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
MYC P01106 2/20 0.32
NR4A1 P22736 1/20 0.32
MAPT P10636 1/20 0.32
TP53 P04637 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL6401719 0.88 ALDH1A1 (0.37) AADATPPOXALDH1A1IDO1S100A4
SCHEMBL6403687 0.82 ALPL (0.36) ALDH1A1IDO1TDO2IDO2KDM4E
SCHEMBL6404457 0.78 MEN1 (0.50) ALDH1A1KDM4EMAPK1MAPT
SCHEMBL6401445 0.76 ALPL (0.32) ALPL
SCHEMBL6401710 0.74 P2RX4 (0.40) ALDH1A1KDM4EMAPK1MAPT
SCHEMBL6400176 0.70 TSHR (0.38) AADATALDH1A1IDO1TDO2IDO2
SCHEMBL6406364 0.70 HSD17B10 (0.42) AADATALDH1A1IDO1KDM4EMAPT
SCHEMBL3186755 0.68 OPRK1 (0.40) ALDH1A1IDO1TDO2IDO2
SCHEMBL11114965 0.67 P2RX4 (0.57) ALDH1A1KDM4EGLAGAAMAPK1
SCHEMBL11114782 0.66 NOTUM (0.53) AADAT

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-20050054696-A1 Indole compounds and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-03-10 US claimed
EP-1452526-A1 INDOLE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-09-01 EP claimed
US-20050054696-A1 Indole compounds and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-03-10 US disclosed
EP-1452526-A1 INDOLE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-09-01 EP 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-20050054696-A1 Indole compounds and medicinal use thereof IDO1, GPR119, SLC5A1 AADAT 15/4885PPOX 3798/4885ALDH1A1 408/4885

“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.