SCHEMBL6402147

SCHEMBL6402147

O=C(CCNc1ccccc1)NNC(=O)c1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NHERF1 O14745 5/20 0.55
PYGL P06737 7/20 0.53
SMYD3 Q9H7B4 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
RXFP1 Q9HBX9 1/20 0.52
BCAT1 P54687 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
GUSB P08236 1/20 0.51
EGFR P00533 1/20 0.51
F7 P08709 1/20 0.50
F3 P13726 1/20 0.50

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
SCHEMBL6404599 0.89 NHERF1 (0.57) NHERF1PYGLMEN1KMT2ABCAT1
SCHEMBL6401087 0.85 PYGL (0.57) NHERF1PYGLSMYD3BCAT1F7
SCHEMBL6400081 0.81 PYGL (0.61) NHERF1PYGLMEN1KMT2ABCAT1
SCHEMBL6398652 0.80 NHERF1 (0.63) NHERF1PYGLMEN1KMT2ARXFP1
SCHEMBL4937303 0.80 NHERF1 (0.57) NHERF1PYGLMEN1KMT2ABCAT1
SCHEMBL4934951 0.79 BCAT1 (0.58) NHERF1PYGLMEN1KMT2ABCAT1
SCHEMBL31058769 0.78 NHERF1 (0.78) NHERF1PYGLMEN1KMT2ARXFP1
SCHEMBL6400248 0.76 NHERF1 (0.67) NHERF1PYGLMEN1KMT2ABCAT1
SCHEMBL4937039 0.76 BCAT1 (0.57) NHERF1PYGLMEN1KMT2ARXFP1
SCHEMBL6401705 0.75 MEN1 (0.64) NHERF1PYGLMEN1KMT2ARXFP1

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 332/4885PYGL 96/4885SMYD3 2523/4885

“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.