SCHEMBL6166853

SCHEMBL6166853

NC(=O)N(c1ccccc1)c1ccc2[nH]ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.48
SLC6A4 P31645 9/20 0.48
SLC6A3 Q01959 8/20 0.48
CTNNB1 P35222 1/20 0.47
WNT3A P56704 1/20 0.47
NPC1 O15118 2/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
F2 P00734 1/20 0.43
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
RAD51 Q06609 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GLI1 P08151 1/20 0.41
GLI2 P10070 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
AR P10275 1/20 0.40
ENPP2 Q13822 1/20 0.39

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
SCHEMBL22418878 0.88 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CTNNB1WNT3A
SCHEMBL27384168 0.84 ATR (0.43) SLC6A2SLC6A4SLC6A3CTNNB1WNT3A
Hydrochloric Acid SCHEMBL27404605 0.83 ATR (0.42) SLC6A2SLC6A4SLC6A3CTNNB1WNT3A
SCHEMBL1122014 0.77 F2 (0.46) SLC6A2SLC6A4SLC6A3CTNNB1WNT3A
SCHEMBL4463432 0.76 KDM4E (0.50) SLC6A2SLC6A4SLC6A3MAPTNPSR1
SCHEMBL28166707 0.75 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3CTNNB1WNT3A
SCHEMBL75885 0.75 NPSR1 (0.64) NPC1MAPTRAB9AF2GAA
SCHEMBL75883 0.75 NPSR1 (0.64) NPC1MAPTRAB9AF2GAA
SCHEMBL28148401 0.75 NPSR1 (0.64) NPC1MAPTRAB9AF2GAA
SCHEMBL3632143 0.74 USP2 (0.48) SLC6A2SLC6A4SLC6A3CTNNB1WNT3A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SLC6A2 2167/4885SLC6A4 1190/4885SLC6A3 1884/4885

“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.