SCHEMBL6400432

SCHEMBL6400432

Cc1nc(C(=O)NNC(=O)c2cc3cc(Cl)ccc3[nH]2)cs1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.60
KDM4E B2RXH2 1/20 0.60
BCAT1 P54687 3/20 0.52
HRH4 Q9H3N8 2/20 0.49
HRH3 Q9Y5N1 1/20 0.49
F7 P08709 1/20 0.49
F3 P13726 1/20 0.49
NHERF1 O14745 5/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
PYGL P06737 3/20 0.47
GUSB P08236 1/20 0.47

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
SCHEMBL6406524 0.80 PYGL (0.58) TLR7BCAT1F7F3NHERF1
SCHEMBL6406490 0.78 F7 (0.54) BCAT1HRH4HRH3F7F3
SCHEMBL6400210 0.78 BCAT1 (0.55) BCAT1HRH4HRH3F7F3
SCHEMBL6400879 0.78 KDM4E (0.57) KDM4EBCAT1F7F3NHERF1
SCHEMBL6399056 0.77 BCAT1 (0.50) BCAT1HRH4HRH3F7F3
SCHEMBL6404649 0.77 F7 (0.52) BCAT1HRH4HRH3F7F3
SCHEMBL6400179 0.77 NHERF1 (0.62) BCAT1HRH4HRH3F7F3
SCHEMBL6401648 0.77 F7 (0.55) BCAT1HRH4HRH3F7F3
SCHEMBL6400219 0.76 BCAT1 (0.54) BCAT1HRH4HRH3F7F3
SCHEMBL22462496 0.76 ALOX15 (0.50) HRH4HRH3F7F3NHERF1

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 5 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
US-20050037919-A1 Metallocenes and catalyst compositions derived therefrom EXXONMOBIL CHEMICAL PATENTS INC. 2005-02-17 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 (2 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 TLR7 3108/4885KDM4E 1617/4885BCAT1 854/4885
US-20050037919-A1 Metallocenes and catalyst compositions derived therefrom HMOX1, RTF1, OPRM1 TLR7 4291/4885KDM4E 4555/4885BCAT1 3973/4885

“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.