SCHEMBL6404741

SCHEMBL6404741

Nc1c(Cl)cccc1C(=O)NNC(=O)c1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NHERF1 O14745 4/20 0.58
BCAT1 P54687 3/20 0.57
KDM4E B2RXH2 1/20 0.54
GUSB P08236 5/20 0.52
F7 P08709 1/20 0.50
F3 P13726 1/20 0.50
SMYD3 Q9H7B4 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
PYGL P06737 2/20 0.48

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
SCHEMBL6400265 0.88 BCAT1 (0.59) NHERF1BCAT1KDM4EGUSBF7
SCHEMBL6401177 0.88 KDM4E (0.68) NHERF1BCAT1KDM4EGUSBF7
SCHEMBL6399999 0.85 NHERF1 (0.63) NHERF1BCAT1KDM4EGUSBF7
SCHEMBL6400345 0.84 BCAT1 (0.63) NHERF1BCAT1GUSBF7F3
SCHEMBL6399070 0.83 BCAT1 (0.57) NHERF1BCAT1GUSBF7F3
SCHEMBL6401150 0.83 NHERF1 (0.61) NHERF1BCAT1KDM4EGUSBF7
SCHEMBL6407127 0.83 NHERF1 (0.56) NHERF1BCAT1GUSBF7F3
SCHEMBL6404418 0.83 NHERF1 (0.56) NHERF1BCAT1GUSBF7F3
Hydrochloric Acid SCHEMBL6399705 0.82 NHERF1 (0.60) NHERF1BCAT1KDM4EGUSBF7
SCHEMBL6398246 0.82 NHERF1 (0.58) NHERF1BCAT1KDM4EGUSBF7

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 332/4885BCAT1 854/4885KDM4E 1617/4885

“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.