SCHEMBL6399100

SCHEMBL6399100

NN1C(=O)N[C@H](Cc2ccccc2)C1=O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C19 P33261 2/20 0.54
POLB P06746 1/20 0.54
CYP1A2 P05177 1/20 0.54
PLA2G10 O15496 1/20 0.53
PLA2G5 P39877 1/20 0.53
ALDH1A1 P00352 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
EP300 Q09472 1/20 0.45

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
SCHEMBL6400213 1.00 GAA (0.54) GAACYP3A4CYP2C19POLBCYP1A2
SCHEMBL6106268 1.00 GAA (0.54) GAACYP3A4CYP2C19POLBCYP1A2
SCHEMBL11267920 0.79 PLA2G10 (0.60) GAACYP3A4CYP2C19POLBCYP1A2
SCHEMBL20516445 0.79 GAA (0.54) GAACYP3A4CYP2C19POLBCYP1A2
SCHEMBL12408230 0.79 PLA2G10 (0.60) GAACYP3A4CYP2C19POLBCYP1A2
SCHEMBL20516443 0.79 GAA (0.54) GAACYP3A4CYP2C19POLBCYP1A2
SCHEMBL11398860 0.77 GAA (0.74) GAACYP3A4CYP2C19POLBCYP1A2
SCHEMBL11270312 0.77 GAA (0.74) GAACYP3A4CYP2C19POLBCYP1A2
SCHEMBL6625348 0.77 CYP2C19 (0.44) GAACYP3A4CYP2C19POLBCYP1A2
SCHEMBL6399098 0.77 HDAC1 (0.49) GAACYP3A4CYP2C19POLBCYP1A2

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 GAA 1100/4885CYP3A4 666/4885CYP2C19 442/4885

“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.