SCHEMBL6399994

SCHEMBL6399994

N=C(NNC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NHERF1 O14745 5/20 0.58
MAPT P10636 1/20 0.58
F7 P08709 1/20 0.55
F3 P13726 1/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
RXFP1 Q9HBX9 1/20 0.53
BCAT1 P54687 3/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
PYGL P06737 2/20 0.52
HRH4 Q9H3N8 2/20 0.51
HRH3 Q9Y5N1 1/20 0.51
GUSB P08236 1/20 0.51
SMYD3 Q9H7B4 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 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
SCHEMBL6401074 0.93 MEN1 (0.65) NHERF1MAPTF7F3MEN1
SCHEMBL6398772 0.93 BCAT1 (0.54) NHERF1MAPTF7F3MEN1
SCHEMBL6399934 0.92 MEN1 (0.64) NHERF1F7F3MEN1KMT2A
Hydrochloric Acid SCHEMBL6400052 0.91 MEN1 (0.62) NHERF1F7F3MEN1KMT2A
SCHEMBL6405713 0.89 MAPT (0.70) NHERF1MAPTF7F3MEN1
SCHEMBL6401667 0.89 NHERF1 (0.58) NHERF1MAPTF7F3MEN1
SCHEMBL6405416 0.87 BCAT1 (0.58) NHERF1F7F3MEN1KMT2A
SCHEMBL6399066 0.85 GUSB (0.57) NHERF1MAPTF7F3MEN1
SCHEMBL6403700 0.85 BCAT1 (0.62) NHERF1F7F3MEN1KMT2A
SCHEMBL6407474 0.84 BCAT1 (0.50) NHERF1MAPTF7F3MEN1

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 NHERF1 332/4885MAPT 4405/4885F7 4352/4885

“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.