SCHEMBL6407409

SCHEMBL6407409

O=C(NN1C(=O)CCNC1=S)c1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.54
F7 P08709 1/20 0.46
F3 P13726 1/20 0.46
SMYD3 Q9H7B4 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
PYGL P06737 5/20 0.45
NHERF1 O14745 4/20 0.45
HRH3 Q9Y5N1 2/20 0.45
GUSB P08236 1/20 0.44
PYGM P11217 3/20 0.43
EHMT2 Q96KQ7 1/20 0.43

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
SCHEMBL6399693 0.90 HRH4 (0.57) HRH4F7F3SMYD3MEN1
SCHEMBL6400096 0.76 HRH4 (0.51) HRH4F7F3MEN1KMT2A
SCHEMBL6400290 0.75 HRH4 (0.53) HRH4F7F3MEN1KMT2A
SCHEMBL6400322 0.73 HRH4 (0.53) HRH4F7F3MEN1KMT2A
SCHEMBL6400051 0.71 HRH4 (0.53) HRH4F7F3SMYD3MEN1
SCHEMBL12101200 0.69 ALOX15 (0.77) HRH4F7F3SMYD3MEN1
SCHEMBL27464367 0.69 F7 (0.66) HRH4F7F3SMYD3MEN1
SCHEMBL4933623 0.69 F7 (0.66) HRH4F7F3SMYD3MEN1
SCHEMBL6403775 0.69 MPO (0.51) HRH4F7F3SMYD3MEN1
SCHEMBL6401657 0.69 HRH4 (0.53) HRH4F7F3MEN1KMT2A

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 HRH4 1853/4885F7 4352/4885F3 3163/4885

“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.