SCHEMBL6401780

SCHEMBL6401780

O=C(NNC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cn[nH]c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.56
NHERF1 O14745 5/20 0.53
PYGL P06737 2/20 0.53
F7 P08709 1/20 0.52
F3 P13726 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
BCAT1 P54687 3/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
GUSB P08236 2/20 0.49
HRH4 Q9H3N8 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48

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
SCHEMBL6405713 0.84 MAPT (0.70) MAPTNHERF1PYGLF7F3
SCHEMBL4932753 0.84 NHERF1 (0.54) MAPTNHERF1PYGLF7F3
SCHEMBL6401919 0.82 NHERF1 (0.58) MAPTNHERF1PYGLF7F3
SCHEMBL6404723 0.81 NHERF1 (0.62) MAPTNHERF1PYGLF7F3
SCHEMBL6401932 0.80 MAPT (0.65) MAPTNHERF1PYGLF7F3
SCHEMBL4935028 0.80 NHERF1 (0.53) MAPTNHERF1PYGLF7F3
SCHEMBL6407104 0.80 RXFP1 (0.74) MAPTNHERF1PYGLF7F3
SCHEMBL4938802 0.80 F7 (0.55) NHERF1PYGLF7F3MEN1
SCHEMBL6400179 0.80 NHERF1 (0.62) MAPTNHERF1PYGLF7F3
SCHEMBL6398667 0.79 MAPT (0.67) MAPTNHERF1MEN1KMT2ARXFP1

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 MAPT 4405/4885NHERF1 332/4885PYGL 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.