SCHEMBL6403775

SCHEMBL6403775

O=C(Nn1c(=S)[nH]c2ccccc2c1=O)c1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.51
XDH P47989 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 1/20 0.50
HRH4 Q9H3N8 1/20 0.50
NHERF1 O14745 3/20 0.49
GUSB P08236 3/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
BCAT1 P54687 1/20 0.45
PYGL P06737 1/20 0.45
F7 P08709 1/20 0.45
F3 P13726 1/20 0.45
SMYD3 Q9H7B4 1/20 0.45
RXFP1 Q9HBX9 2/20 0.45
EGFR P00533 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL6399564 0.89 HRH4 (0.52) HRH4NHERF1GUSBMEN1KMT2A
SCHEMBL6402611 0.80 HRH4 (0.49) HRH4NHERF1GUSBMEN1KMT2A
SCHEMBL6401444 0.76 PYGL (0.48) HRH4NHERF1GUSBMEN1KMT2A
SCHEMBL6398776 0.75 NHERF1 (0.55) HRH4NHERF1GUSBMEN1KMT2A
SCHEMBL6398696 0.74 HRH4 (0.46) HRH4NHERF1BCAT1PYGLEGFR
SCHEMBL6405492 0.73 ALDH1A1 (0.50) SMN1; SMN2GAAHRH4NHERF1MEN1
SCHEMBL6400123 0.73 GUSB (0.52) MPOXDHHRH4NHERF1GUSB
SCHEMBL6400096 0.71 HRH4 (0.51) HRH4NHERF1GUSBMEN1KMT2A
SCHEMBL31058769 0.69 NHERF1 (0.78) SMN1; SMN2NHERF1GUSBMEN1KMT2A
SCHEMBL6407409 0.69 HRH4 (0.54) HRH4NHERF1GUSBMEN1KMT2A

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 2 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 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 MPO 2232/4885XDH 1508/4885SMN1; 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.