SCHEMBL6404457

SCHEMBL6404457

NC(=O)N1C(=O)[N]C(=O)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 2/20 0.50
CYP3A4 P08684 2/20 0.50
PABPC1 P11940 1/20 0.50
BLM P54132 1/20 0.50
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
SCN4A P35499 1/20 0.44
SCN5A Q14524 1/20 0.44
SCN9A Q15858 1/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
CES1 P23141 4/20 0.41
P2RX4 Q99571 4/20 0.36
NOTUM Q6P988 1/20 0.34
CTRB1 P17538 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
SCHEMBL6404429 0.83 ALDH1A1 (0.48) MEN1ALDH1A1KMT2AMAPTKDM4E
SCHEMBL6401710 0.79 P2RX4 (0.40) MEN1ALDH1A1KMT2AMAPTKDM4E
SCHEMBL6406733 0.78 AADAT (0.35) ALDH1A1MAPTKDM4EMAPK1
SCHEMBL6403687 0.78 ALPL (0.36) MEN1ALDH1A1KMT2AMAPTKDM4E
SCHEMBL6401719 0.78 ALDH1A1 (0.37) MEN1ALDH1A1KMT2AMAPTKDM4E
SCHEMBL6399573 0.76 KDM4E (0.50) MEN1ALDH1A1KMT2AMAPTKDM4E
SCHEMBL6401445 0.75 ALPL (0.32)
SCHEMBL6400066 0.74 SCN9A (0.37) MEN1ALDH1A1KMT2AMAPTKDM4E
SCHEMBL6400176 0.74 TSHR (0.38) MEN1ALDH1A1KMT2AMAPTKDM4E
SCHEMBL6406364 0.74 HSD17B10 (0.42) ALDH1A1MAPTKDM4ENOTUMRAB9A

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-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
WO-2000002903-A1 CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME CYTEL CORPORATION (US) 2000-01-20 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-20050054696-A1 Indole compounds and medicinal use thereof IDO1, GPR119, SLC5A1 MEN1 1510/4885ALDH1A1 408/4885KMT2A 673/4885

“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.