SCHEMBL6400057

SCHEMBL6400057

CN(C)c1ccccc1C(=O)NNC(=O)c1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NHERF1 O14745 2/20 0.60
HRH4 Q9H3N8 2/20 0.55
HRH3 Q9Y5N1 1/20 0.55
PYGL P06737 8/20 0.54
BCAT1 P54687 3/20 0.54
CNR1 P21554 1/20 0.52
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
GUSB P08236 1/20 0.50

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
SCHEMBL6404730 0.89 BCAT1 (0.54) NHERF1HRH4HRH3PYGLBCAT1
SCHEMBL6406416 0.84 BCAT1 (0.67) NHERF1HRH4HRH3PYGLBCAT1
SCHEMBL6401177 0.84 KDM4E (0.68) NHERF1PYGLBCAT1KDM4EMEN1
SCHEMBL6399942 0.83 NHERF1 (0.69) NHERF1HRH4HRH3PYGLBCAT1
SCHEMBL6399558 0.83 NHERF1 (0.65) NHERF1PYGLBCAT1KDM4EMEN1
SCHEMBL6401120 0.82 NHERF1 (0.71) NHERF1HRH4HRH3PYGLBCAT1
SCHEMBL6400331 0.82 NHERF1 (0.55) NHERF1HRH4HRH3PYGLBCAT1
SCHEMBL6399999 0.82 NHERF1 (0.63) NHERF1PYGLBCAT1KDM4EMEN1
SCHEMBL6402210 0.81 NHERF1 (0.60) NHERF1PYGLBCAT1KDM4EMEN1
SCHEMBL6400996 0.81 NHERF1 (0.76) NHERF1PYGLBCAT1KDM4EMEN1

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 NHERF1 332/4885HRH4 1853/4885HRH3 2126/4885
US-20050037919-A1 Metallocenes and catalyst compositions derived therefrom HMOX1, RTF1, OPRM1 NHERF1 401/4885HRH4 419/4885HRH3 500/4885

“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.