SCHEMBL6399555

SCHEMBL6399555

N=C(NNC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cnccn1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
KDM4E B2RXH2 1/20 0.47
PYGL P06737 7/20 0.47
KCNA6 P17658 1/20 0.46
KCNA3 P22001 1/20 0.46
KCNA4 P22459 1/20 0.46
F7 P08709 1/20 0.46
F3 P13726 1/20 0.46
BCAT1 P54687 2/20 0.46
NHERF1 O14745 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HRH4 Q9H3N8 1/20 0.45

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
SCHEMBL6400879 0.91 KDM4E (0.57) IDO1KDM4EPYGLKCNA6KCNA3
SCHEMBL6404660 0.86 PYGL (0.53) PYGLF7F3BCAT1NHERF1
SCHEMBL4937626 0.80 IDO1 (0.54) IDO1PYGLF7F3BCAT1
SCHEMBL6406524 0.79 PYGL (0.58) PYGLF7F3BCAT1NHERF1
SCHEMBL6399994 0.79 NHERF1 (0.58) PYGLF7F3BCAT1NHERF1
SCHEMBL6407130 0.78 HRH4 (0.51) IDO1PYGLKCNA6KCNA3KCNA4
SCHEMBL6399934 0.77 MEN1 (0.64) PYGLF7F3BCAT1NHERF1
SCHEMBL6401919 0.77 NHERF1 (0.58) PYGLF7F3BCAT1NHERF1
SCHEMBL4938802 0.77 F7 (0.55) PYGLKCNA6KCNA3KCNA4F7
Hydrochloric Acid SCHEMBL6400052 0.76 MEN1 (0.62) PYGLF7F3BCAT1NHERF1

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 IDO1 1/4885KDM4E 1617/4885PYGL 96/4885

“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.