SCHEMBL6399996

SCHEMBL6399996

O=C(NNC=Nc1ccc(Cl)cc1)c1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GUSB P08236 11/20 0.54
F7 P08709 1/20 0.51
F3 P13726 1/20 0.51
NHERF1 O14745 3/20 0.50
BCAT1 P54687 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
PYGL P06737 1/20 0.49

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
SCHEMBL6401075 0.93 MEN1 (0.61) GUSBF7F3NHERF1BCAT1
SCHEMBL6401674 0.90 GUSB (0.56) GUSBF7F3NHERF1BCAT1
SCHEMBL6399071 0.86 GUSB (0.59) GUSBNHERF1BCAT1MEN1KMT2A
SCHEMBL6407478 0.85 GUSB (0.48) GUSBBCAT1MEN1KMT2ARXFP1
Hydrochloric Acid SCHEMBL6398770 0.85 GUSB (0.58) GUSBNHERF1BCAT1MEN1KMT2A
SCHEMBL6401155 0.84 GUSB (0.57) GUSBF7F3NHERF1BCAT1
Hydrochloric Acid SCHEMBL6401280 0.83 GUSB (0.56) GUSBF7F3NHERF1BCAT1
SCHEMBL6399609 0.82 GUSB (0.59) GUSBNHERF1BCAT1MEN1KMT2A
SCHEMBL6400508 0.82 BCAT1 (0.50) GUSBNHERF1BCAT1KMT2APYGL
Hydrochloric Acid SCHEMBL6400671 0.81 GUSB (0.58) GUSBNHERF1BCAT1MEN1KMT2A

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 171/4885F7 4352/4885F3 3163/4885

“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.