SCHEMBL6403742

SCHEMBL6403742

O=C(NNC(=O)c1cccs1)c1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
BCAT1 P54687 4/20 0.54
NHERF1 O14745 2/20 0.54
GAA P10253 3/20 0.53
ALDH1A1 P00352 2/20 0.53
F7 P08709 1/20 0.52
F3 P13726 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
LMNA P02545 1/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
HRH4 Q9H3N8 1/20 0.51
PYGL P06737 1/20 0.51
EGFR P00533 1/20 0.50

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
SCHEMBL6400942 0.91 BCAT1 (0.51) RAB9ANPC1SMN1; SMN2BCAT1NHERF1
SCHEMBL6403730 0.85 ALDH1A1 (0.52) RAB9ANPC1ALDH1A1LMNAMAPT
SCHEMBL6401648 0.82 F7 (0.55) BCAT1NHERF1F7F3MEN1
SCHEMBL1203013 0.82 TDP1 (0.57) RAB9ANPC1SMN1; SMN2GAAALDH1A1
SCHEMBL6400654 0.82 HRH4 (0.52) NHERF1HRH4PYGL
SCHEMBL6401360 0.81 F7 (0.54) BCAT1NHERF1F7F3MEN1
SCHEMBL6406490 0.81 F7 (0.54) BCAT1NHERF1F7F3MEN1
SCHEMBL6400345 0.81 BCAT1 (0.63) RAB9ANPC1BCAT1NHERF1F7
SCHEMBL14089311 0.80 BCAT1 (0.66) BCAT1NHERF1F7F3MEN1
SCHEMBL6402685 0.80 BCAT1 (0.54) BCAT1NHERF1GAAALDH1A1F7

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 RAB9A 1891/4885NPC1 706/4885SMN1; SMN2 4781/4885

“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.