SCHEMBL6400936

SCHEMBL6400936

Cc1ccc(N)c(C(=O)NNC(=O)c2cc3cc(Cl)ccc3[nH]2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 3/20 0.56
NHERF1 O14745 4/20 0.51
HRH4 Q9H3N8 2/20 0.49
HRH3 Q9Y5N1 1/20 0.49
F7 P08709 1/20 0.49
F3 P13726 1/20 0.49
SMYD3 Q9H7B4 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
PYGL P06737 4/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
GUSB P08236 1/20 0.47
PIN1 Q13526 1/20 0.46

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
SCHEMBL6407127 0.92 NHERF1 (0.56) BCAT1NHERF1HRH4HRH3F7
SCHEMBL6404677 0.91 BCAT1 (0.56) BCAT1NHERF1HRH4HRH3F7
SCHEMBL6399999 0.84 NHERF1 (0.63) BCAT1NHERF1F7F3SMYD3
SCHEMBL6404418 0.84 NHERF1 (0.56) BCAT1NHERF1HRH4HRH3F7
SCHEMBL6401115 0.82 MEN1 (0.55) BCAT1NHERF1F7F3SMYD3
SCHEMBL6400705 0.82 TP53 (0.60) BCAT1NHERF1HRH4RXFP1TP53
SCHEMBL6400179 0.82 NHERF1 (0.62) BCAT1NHERF1HRH4HRH3F7
SCHEMBL6400265 0.81 BCAT1 (0.59) BCAT1NHERF1HRH4HRH3F7
SCHEMBL6400699 0.80 RAB9A (0.55) BCAT1HRH4RXFP1TP53POLB
SCHEMBL6398772 0.80 BCAT1 (0.54) BCAT1NHERF1HRH4HRH3F7

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 854/4885NHERF1 332/4885HRH4 1853/4885

“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.