SCHEMBL6400561

SCHEMBL6400561

O=C(NNC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc[nH]1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.59
NHERF1 O14745 7/20 0.57
BCAT1 P54687 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
PYGL P06737 2/20 0.56
F7 P08709 1/20 0.56
F3 P13726 1/20 0.56
HRH4 Q9H3N8 3/20 0.55
HRH3 Q9Y5N1 2/20 0.55
RXFP1 Q9HBX9 1/20 0.54
GUSB P08236 1/20 0.53

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 0.82 MAPT (0.70) NHERF1BCAT1MEN1KMT2ANPC1
SCHEMBL6400345 0.81 BCAT1 (0.63) NHERF1BCAT1MEN1KMT2ANPC1
SCHEMBL6404723 0.81 NHERF1 (0.62) NHERF1BCAT1MEN1KMT2ANPC1
SCHEMBL1202468 0.81 ATM (0.52) ATMNHERF1BCAT1PYGL
SCHEMBL6401177 0.80 KDM4E (0.68) NHERF1BCAT1MEN1KMT2ANPC1
SCHEMBL6398246 0.80 NHERF1 (0.58) NHERF1BCAT1MEN1KMT2APYGL
SCHEMBL6399558 0.79 NHERF1 (0.65) NHERF1BCAT1MEN1KMT2ANPC1
SCHEMBL6400062 0.79 MEN1 (0.58) NHERF1BCAT1MEN1KMT2ANPC1
SCHEMBL6405094 0.79 GUSB (0.58) NHERF1BCAT1MEN1KMT2ANPC1
SCHEMBL4936468 0.78 NHERF1 (0.57) NHERF1BCAT1MEN1KMT2ANPC1

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 ATM 4453/4885NHERF1 332/4885BCAT1 854/4885

“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.