SCHEMBL6401674

SCHEMBL6401674

O=C(NNC=Nc1cccc(Cl)c1)c1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GUSB P08236 12/20 0.56
BCAT1 P54687 3/20 0.50
NHERF1 O14745 3/20 0.50
F7 P08709 1/20 0.48
F3 P13726 1/20 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
SCHEMBL6399071 0.91 GUSB (0.59) GUSBBCAT1NHERF1
Hydrochloric Acid SCHEMBL6398770 0.91 GUSB (0.58) GUSBBCAT1NHERF1
SCHEMBL6399996 0.90 GUSB (0.54) GUSBBCAT1NHERF1F7F3
SCHEMBL6401075 0.85 MEN1 (0.61) GUSBBCAT1NHERF1F7F3
SCHEMBL6407478 0.84 GUSB (0.48) GUSBBCAT1
SCHEMBL6401155 0.83 GUSB (0.57) GUSBBCAT1NHERF1F7F3
SCHEMBL6404131 0.82 GUSB (0.52) GUSBBCAT1NHERF1
Hydrochloric Acid SCHEMBL6401280 0.82 GUSB (0.56) GUSBBCAT1NHERF1F7F3
SCHEMBL6401160 0.82 GUSB (0.54) GUSBBCAT1NHERF1
SCHEMBL6400508 0.81 BCAT1 (0.50) GUSBBCAT1NHERF1

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 GUSB 171/4885BCAT1 854/4885NHERF1 332/4885

“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.