SCHEMBL6402193

SCHEMBL6402193

COC(=O)Nc1ccccc1C(=O)NNC(=O)c1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NHERF1 O14745 4/20 0.68
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
BCAT1 P54687 4/20 0.53
PYGL P06737 4/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
GUSB P08236 1/20 0.49
FLT3 P36888 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL6401120 0.88 NHERF1 (0.71) NHERF1KDM4EALDH1A1MAPTBCAT1
SCHEMBL6399942 0.87 NHERF1 (0.69) NHERF1KDM4EBCAT1PYGLMEN1
SCHEMBL6400996 0.87 NHERF1 (0.76) NHERF1KDM4EBCAT1PYGLMEN1
SCHEMBL6399045 0.86 NHERF1 (0.65) NHERF1KDM4EBCAT1PYGLMEN1
SCHEMBL6402210 0.85 NHERF1 (0.60) NHERF1KDM4EBCAT1PYGLMEN1
SCHEMBL6400244 0.84 NHERF1 (0.59) NHERF1KDM4EBCAT1PYGL
SCHEMBL6399677 0.84 NHERF1 (0.59) NHERF1KDM4EBCAT1PYGL
SCHEMBL6406416 0.83 BCAT1 (0.67) NHERF1KDM4EMAPTBCAT1PYGL
SCHEMBL6402489 0.83 NHERF1 (0.56) NHERF1KDM4EALDH1A1MAPTBCAT1
SCHEMBL6401177 0.83 KDM4E (0.68) NHERF1KDM4EBCAT1PYGLMEN1

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 NHERF1 332/4885KDM4E 1617/4885ALDH1A1 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.