SCHEMBL6166855

SCHEMBL6166855

O=C(Nc1ccccc1)Nc1ccc2[nH]ccc2c1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.73
MAOB P27338 5/20 0.73
NPC1 O15118 4/20 0.71
RAB9A P51151 4/20 0.71
MAPT P10636 3/20 0.71
ROCK2 O75116 1/20 0.61
ROCK1 Q13464 1/20 0.61
EPHX1 P07099 2/20 0.59
CFTR P13569 1/20 0.54
NOTUM Q6P988 1/20 0.54

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
SCHEMBL31668688 0.94 MAOA (0.66) MAOAMAOBNPC1RAB9AMAPT
SCHEMBL31668675 0.92 NPC1 (0.64) MAOAMAOBNPC1RAB9AMAPT
SCHEMBL22803696 0.92 NPC1 (0.67) MAOAMAOBNPC1RAB9AMAPT
SCHEMBL27375907 0.88 NPC1 (0.61) MAOAMAOBNPC1RAB9AMAPT
SCHEMBL25120815 0.85 NPC1 (0.57) MAOAMAOBNPC1RAB9AMAPT
SCHEMBL22803277 0.84 MAOB (0.59) MAOAMAOBNPC1RAB9AMAPT
SCHEMBL4347943 0.83 NPC1 (0.69) MAOAMAOBNPC1RAB9AMAPT
SCHEMBL22803834 0.83 DDX3X (0.61) MAOAMAOBNPC1RAB9AMAPT
SCHEMBL22803836 0.83 NPC1 (0.58) MAOAMAOBNPC1RAB9AMAPT
SCHEMBL22803833 0.83 NPC1 (0.58) MAOAMAOBNPC1RAB9AMAPT

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
WO-2024064358-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2024-03-28 WO disclosed
US-20050124620-A1 Indole derivatives having an acidic moiety that inhibit or modulate activity of p38 map kinase mediating a disease state; e.g., 3-(2-(4-pyridyl)ethyl)-5-(3-trifluoromethoxybenzamido)indole; enzyme inhibitors; antiarthritic, -inflammatory, and -carcinogenic agents; respiratory disorders; AIDS; Alzheimer's FREDERICKSON MARTYN (GB) 2005-06-09 US disclosed
EP-1495016-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS MODULATORS OF P38 MAP KINASE Astex Technology Limited (GB) 2005-01-12 EP disclosed
WO-2003087087-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS MODULATORS OF P38 MAP KINASE ASTEX TECHNOLOGY LIMITED (GB) 2003-10-23 WO 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-20050124620-A1 Indole derivatives having an acidic moiety that inhibit or modulate activity of p38 map kinase mediating a disease state; e.g., 3-(2-(4-pyridyl)ethyl)-5-(3-trifluoromethoxybenzamido)indole; enzyme inhibitors; antiarthritic, -inflammatory, and -carcinogenic agents; respiratory disorders; AIDS; Alzheimer's MAPK1, IDO1, INMT MAOA 79/4885MAOB 103/4885NPC1 4366/4885

“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.