SCHEMBL6404722

SCHEMBL6404722

COC(=O)COc1cccc(C(=O)NNC(=O)c2cc3cc(Cl)ccc3[nH]2)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
MAPT P10636 2/20 0.49
NHERF1 O14745 2/20 0.49
BCAT1 P54687 2/20 0.48
F10 P00742 2/20 0.48
PYGL P06737 2/20 0.47
FLT3 P36888 1/20 0.47
GUSB P08236 1/20 0.46
HRH4 Q9H3N8 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 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
SCHEMBL6400031 0.90 MEN1 (0.54) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL6405183 0.88 MEN1 (0.53) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL6406653 0.87 MEN1 (0.75) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL6404723 0.81 NHERF1 (0.62) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL6401289 0.81 NHERF1 (0.53) MEN1KMT2ANHERF1BCAT1PYGL
SCHEMBL4937303 0.80 NHERF1 (0.57) MEN1KMT2ANPC1RAB9ANHERF1
SCHEMBL6407379 0.80 BCAT1 (0.67) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4937263 0.78 FLT3 (0.60) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL6400591 0.77 GUSB (0.61) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL6399657 0.77 NHERF1 (0.58) MEN1KMT2ANPC1RAB9AMAPT

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 MEN1 1510/4885KMT2A 673/4885NPC1 706/4885

“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.