SCHEMBL6404599

SCHEMBL6404599

O=C(CNc1ccccc1)NNC(=O)c1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NHERF1 O14745 7/20 0.57
EGFR P00533 1/20 0.55
PYGL P06737 8/20 0.54
BCAT1 P54687 1/20 0.54
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
GUSB P08236 1/20 0.53
F7 P08709 1/20 0.52
F3 P13726 1/20 0.52
HRH4 Q9H3N8 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52

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
SCHEMBL6402147 0.89 NHERF1 (0.55) NHERF1EGFRPYGLBCAT1MEN1
SCHEMBL6400081 0.83 PYGL (0.61) NHERF1EGFRPYGLBCAT1MEN1
SCHEMBL6398652 0.82 NHERF1 (0.63) NHERF1EGFRPYGLBCAT1MEN1
SCHEMBL4937303 0.81 NHERF1 (0.57) NHERF1EGFRPYGLBCAT1MEN1
SCHEMBL4934951 0.81 BCAT1 (0.58) NHERF1EGFRPYGLBCAT1MEN1
SCHEMBL31058769 0.80 NHERF1 (0.78) NHERF1PYGLMEN1NPC1RAB9A
SCHEMBL6400248 0.80 NHERF1 (0.67) NHERF1EGFRPYGLBCAT1MEN1
SCHEMBL4935952 0.79 NHERF1 (0.59) NHERF1EGFRPYGLBCAT1MEN1
SCHEMBL6401087 0.78 PYGL (0.57) NHERF1PYGLBCAT1F7F3
SCHEMBL4937039 0.77 BCAT1 (0.57) NHERF1EGFRPYGLBCAT1MEN1

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 2 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 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 332/4885EGFR 3431/4885PYGL 96/4885

“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.