SCHEMBL6407130

SCHEMBL6407130

Nc1cnccc1C(=O)NNC(=O)c1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.51
PYGL P06737 5/20 0.50
NHERF1 O14745 3/20 0.50
IDO1 P14902 1/20 0.49
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 2/20 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
GUSB P08236 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
SCHEMBL6404418 0.86 NHERF1 (0.56) HRH4PYGLNHERF1F7F3
SCHEMBL4937626 0.84 IDO1 (0.54) HRH4PYGLNHERF1IDO1F7
SCHEMBL6399999 0.83 NHERF1 (0.63) PYGLNHERF1F7F3BCAT1
SCHEMBL6407127 0.83 NHERF1 (0.56) HRH4PYGLNHERF1F7F3
SCHEMBL6401919 0.81 NHERF1 (0.58) HRH4PYGLNHERF1F7F3
SCHEMBL6404677 0.81 BCAT1 (0.56) HRH4PYGLNHERF1F7F3
SCHEMBL6402152 0.81 MEN1 (0.60) PYGLNHERF1F7F3BCAT1
SCHEMBL6398246 0.80 NHERF1 (0.58) HRH4PYGLNHERF1F7F3
Hydrochloric Acid SCHEMBL6399726 0.80 MEN1 (0.59) PYGLNHERF1F7F3BCAT1
SCHEMBL6400879 0.79 KDM4E (0.57) PYGLNHERF1IDO1F7F3

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 1853/4885PYGL 96/4885NHERF1 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.