SCHEMBL6404429

SCHEMBL6404429

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP3A4 P08684 1/20 0.48
PABPC1 P11940 1/20 0.48
BLM P54132 1/20 0.48
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
SCN4A P35499 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
BCHE P06276 2/20 0.41
ACHE P22303 1/20 0.41
CES1 P23141 6/20 0.39
P2RX4 Q99571 4/20 0.35
HPGD P15428 2/20 0.35
CTRB1 P17538 1/20 0.33

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
SCHEMBL6404457 0.83 MEN1 (0.50) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL6399573 0.73 KDM4E (0.50) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL4869538 0.70 CES1 (0.68) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL11115762 0.68 MEN1 (0.56) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL11622848 0.68 MEN1 (0.56) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL3296716 0.68 TSHR (0.71) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL2763214 0.67 LMNA (0.52) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL6401843 0.66 NOTUM (0.44) ALDH1A1KMT2AMEN1MAPTKDM4E
Potassium SCHEMBL31187879 0.65 LMNA (0.50) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL28387672 0.65 LMNA (0.50) ALDH1A1KMT2AMEN1MAPTKDM4E

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 ALDH1A1 408/4885KMT2A 673/4885MEN1 1510/4885

“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.