SCHEMBL6400219

SCHEMBL6400219

Cc1ccc(C(=O)NNC(=O)c2cc3cc(Cl)ccc3[nH]2)s1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 4/20 0.54
F7 P08709 1/20 0.51
F3 P13726 1/20 0.51
HRH4 Q9H3N8 3/20 0.51
HRH3 Q9Y5N1 2/20 0.51
NHERF1 O14745 4/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
PYGL P06737 3/20 0.49
GUSB P08236 2/20 0.48
SMYD3 Q9H7B4 1/20 0.47
HRH1 P35367 1/20 0.47

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
SCHEMBL6401360 0.88 F7 (0.54) BCAT1F7F3HRH4HRH3
SCHEMBL6403742 0.79 RAB9A (0.57) BCAT1F7F3HRH4NHERF1
SCHEMBL6400179 0.79 NHERF1 (0.62) BCAT1F7F3HRH4HRH3
SCHEMBL6405713 0.78 MAPT (0.70) BCAT1F7F3HRH4HRH3
SCHEMBL6400210 0.77 BCAT1 (0.55) BCAT1F7F3HRH4HRH3
SCHEMBL6398772 0.77 BCAT1 (0.54) BCAT1F7F3HRH4HRH3
SCHEMBL4936468 0.77 NHERF1 (0.57) BCAT1F7F3HRH4HRH3
SCHEMBL6400345 0.77 BCAT1 (0.63) BCAT1F7F3NHERF1MEN1
SCHEMBL6399056 0.77 BCAT1 (0.50) BCAT1F7F3HRH4HRH3
SCHEMBL6406416 0.77 BCAT1 (0.67) BCAT1F7F3HRH4HRH3

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.