SCHEMBL6404612

SCHEMBL6404612

Nc1scnc1C(=O)NNC(=O)c1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.48
F7 P08709 1/20 0.48
F3 P13726 1/20 0.48
KCNA6 P17658 1/20 0.48
KCNA3 P22001 1/20 0.48
KCNA4 P22459 1/20 0.48
BCAT1 P54687 3/20 0.47
NHERF1 O14745 4/20 0.47
SMYD3 Q9H7B4 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
PYGL P06737 3/20 0.46
GUSB P08236 2/20 0.46
HRH3 Q9Y5N1 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
SCHEMBL6399056 0.81 BCAT1 (0.50) HRH4F7F3KCNA6KCNA3
SCHEMBL6401676 0.77 HRH4 (0.53) HRH4F7F3BCAT1NHERF1
SCHEMBL4938802 0.76 F7 (0.55) HRH4F7F3KCNA6KCNA3
SCHEMBL6404418 0.76 NHERF1 (0.56) HRH4F7F3BCAT1NHERF1
SCHEMBL6407127 0.76 NHERF1 (0.56) HRH4F7F3BCAT1NHERF1
SCHEMBL6401648 0.76 F7 (0.55) HRH4F7F3BCAT1NHERF1
SCHEMBL6405713 0.75 MAPT (0.70) HRH4F7F3BCAT1NHERF1
SCHEMBL6406490 0.75 F7 (0.54) HRH4F7F3BCAT1NHERF1
SCHEMBL6401360 0.75 F7 (0.54) HRH4F7F3BCAT1NHERF1
SCHEMBL6404741 0.74 NHERF1 (0.58) F7F3BCAT1NHERF1SMYD3

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 HRH4 1853/4885F7 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.