SCHEMBL6400211

SCHEMBL6400211

NC(=O)N1C(=O)N[C@@H](Cc2ccccc2)C1=O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
GAA P10253 3/20 0.49
POLB P06746 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
PLA2G10 O15496 2/20 0.48
PLA2G5 P39877 2/20 0.48
ALOX15 P16050 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL6399098 1.00 HDAC1 (0.49) HDAC1HDAC6GAAPOLBCYP1A2
SCHEMBL20516443 0.77 GAA (0.54) HDAC1HDAC6GAAPOLBCYP1A2
SCHEMBL20516445 0.77 GAA (0.54) HDAC1HDAC6GAAPOLBCYP1A2
SCHEMBL6400213 0.77 GAA (0.54) HDAC1HDAC6GAAPOLBCYP1A2
SCHEMBL6106268 0.77 GAA (0.54) HDAC1HDAC6GAAPOLBCYP1A2
SCHEMBL6399100 0.77 GAA (0.54) HDAC1HDAC6GAAPOLBCYP1A2
SCHEMBL10741921 0.75 GAA (0.56) HDAC1HDAC6GAAPOLBCYP1A2
SCHEMBL12408230 0.73 PLA2G10 (0.60) GAAPOLBCYP1A2CYP3A4CYP2C19
SCHEMBL11267920 0.73 PLA2G10 (0.60) GAAPOLBCYP1A2CYP3A4CYP2C19
SCHEMBL1226583 0.73 HDAC8 (0.56) GAAPOLBCYP1A2CYP3A4CYP2C19

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 HDAC1 1515/4885HDAC6 3009/4885GAA 1100/4885

“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.