SCHEMBL6400879

SCHEMBL6400879

O=C(NNC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cnccn1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
IDO1 P14902 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GUSB P08236 4/20 0.50
PYGL P06737 3/20 0.50
F7 P08709 1/20 0.50
F3 P13726 1/20 0.50
MAPT P10636 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KCNA6 P17658 1/20 0.49
KCNA3 P22001 1/20 0.49
KCNA4 P22459 1/20 0.49
BCAT1 P54687 1/20 0.49
NHERF1 O14745 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL6399555 0.91 IDO1 (0.47) KDM4EIDO1PYGLF7F3
SCHEMBL6406524 0.85 PYGL (0.58) GUSBPYGLF7F3BCAT1
SCHEMBL4937626 0.84 IDO1 (0.54) IDO1GUSBPYGLF7F3
SCHEMBL6404649 0.81 F7 (0.52) GUSBPYGLF7F3MAPT
SCHEMBL6401919 0.80 NHERF1 (0.58) SMN1; SMN2PYGLF7F3MAPT
SCHEMBL4938802 0.80 F7 (0.55) GUSBPYGLF7F3KCNA6
SCHEMBL6407130 0.79 HRH4 (0.51) IDO1GUSBPYGLF7F3
SCHEMBL4932753 0.79 NHERF1 (0.54) GUSBPYGLF7F3MAPT
SCHEMBL6404660 0.78 PYGL (0.53) GUSBPYGLF7F3BCAT1
SCHEMBL6400432 0.78 TLR7 (0.60) KDM4EGUSBPYGLF7F3

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 KDM4E 1617/4885IDO1 1/4885SMN1; 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.