SCHEMBL6400508

SCHEMBL6400508

O=C(NNC=Nc1ccco1)c1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 4/20 0.50
GUSB P08236 13/20 0.49
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
NHERF1 O14745 1/20 0.47
PYGL P06737 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
SCHEMBL6399996 0.82 GUSB (0.54) BCAT1GUSBKMT2ANHERF1PYGL
SCHEMBL6401674 0.81 GUSB (0.56) BCAT1GUSBNHERF1
SCHEMBL6401155 0.81 GUSB (0.57) BCAT1GUSBKMT2ANHERF1
Hydrochloric Acid SCHEMBL6401280 0.80 GUSB (0.56) BCAT1GUSBKMT2ANHERF1
SCHEMBL6399609 0.79 GUSB (0.59) BCAT1GUSBKMT2ANHERF1
SCHEMBL6399358 0.78 KMT2A (0.66) BCAT1POLBKMT2ANHERF1PYGL
SCHEMBL6401075 0.78 MEN1 (0.61) BCAT1GUSBKMT2ANHERF1
SCHEMBL6399071 0.78 GUSB (0.59) BCAT1GUSBKMT2ANHERF1
Hydrochloric Acid SCHEMBL6400671 0.78 GUSB (0.58) BCAT1GUSBKMT2ANHERF1
SCHEMBL6401160 0.77 GUSB (0.54) BCAT1GUSBKMT2ANHERF1PYGL

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 854/4885GUSB 171/4885POLB 4755/4885

“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.