SCHEMBL6402685

SCHEMBL6402685

O=C(NNC(=O)c1sccc1Cl)c1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 3/20 0.54
F7 P08709 1/20 0.52
F3 P13726 1/20 0.52
HRH4 Q9H3N8 2/20 0.52
HRH3 Q9Y5N1 1/20 0.52
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
AGTR1 P30556 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
NHERF1 O14745 4/20 0.51
GUSB P08236 4/20 0.50
PYGL P06737 3/20 0.50
SMYD3 Q9H7B4 1/20 0.48

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
SCHEMBL6401676 0.88 HRH4 (0.53) BCAT1F7F3HRH4HRH3
SCHEMBL6400210 0.88 BCAT1 (0.55) BCAT1F7F3HRH4HRH3
SCHEMBL6401648 0.85 F7 (0.55) BCAT1F7F3HRH4HRH3
SCHEMBL6406490 0.84 F7 (0.54) BCAT1F7F3HRH4HRH3
SCHEMBL6403742 0.80 RAB9A (0.57) BCAT1F7F3HRH4ALDH1A1
SCHEMBL6398246 0.79 NHERF1 (0.58) BCAT1F7F3HRH4HRH3
SCHEMBL6405713 0.79 MAPT (0.70) BCAT1F7F3HRH4HRH3
SCHEMBL6400345 0.78 BCAT1 (0.63) BCAT1F7F3MEN1KMT2A
SCHEMBL6404714 0.78 NHERF1 (0.53) BCAT1F7F3HRH4HRH3
SCHEMBL6401177 0.77 KDM4E (0.68) BCAT1F7F3MEN1KMT2A

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 BCAT1 854/4885F7 4352/4885F3 3163/4885

“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.