SCHEMBL6400243

SCHEMBL6400243

O=C(NNC(=S)c1ccccc1)c1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
NPC1 O15118 1/20 0.64
RAB9A P51151 1/20 0.64
NHERF1 O14745 4/20 0.60
BCAT1 P54687 4/20 0.60
GUSB P08236 2/20 0.56
F7 P08709 1/20 0.56
F3 P13726 1/20 0.56
PYGL P06737 4/20 0.54
EGFR P00533 1/20 0.53
RXFP1 Q9HBX9 1/20 0.51

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
SCHEMBL6399934 0.85 MEN1 (0.64) MEN1KMT2ANPC1RAB9ANHERF1
SCHEMBL6401705 0.85 MEN1 (0.64) MEN1KMT2ANPC1RAB9ANHERF1
Hydrochloric Acid SCHEMBL6400052 0.84 MEN1 (0.62) MEN1KMT2ANPC1RAB9ANHERF1
SCHEMBL6404723 0.83 NHERF1 (0.62) MEN1KMT2ANPC1RAB9ANHERF1
SCHEMBL6405713 0.81 MAPT (0.70) MEN1KMT2ANPC1RAB9ANHERF1
SCHEMBL6399558 0.81 NHERF1 (0.65) MEN1KMT2ANPC1RAB9ANHERF1
SCHEMBL6405416 0.80 BCAT1 (0.58) MEN1KMT2ANPC1RAB9ANHERF1
SCHEMBL6398652 0.80 NHERF1 (0.63) MEN1KMT2ANPC1RAB9ANHERF1
SCHEMBL6401177 0.80 KDM4E (0.68) MEN1KMT2ANPC1RAB9ANHERF1
SCHEMBL6400591 0.79 GUSB (0.61) MEN1KMT2ANPC1RAB9ANHERF1

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.