SCHEMBL560906

SCHEMBL560906

C[C](C)SCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.58
NOS1 P29475 2/20 0.58
NOS3 P29474 1/20 0.58
NOS2 P35228 1/20 0.58
TDP1 Q9NUW8 2/20 0.55
GAA P10253 1/20 0.55
TAAR1 Q96RJ0 1/20 0.55
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
SLC11A2 P49281 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
PRMT1 Q99873 1/20 0.42
CYP2C19 P33261 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL1140195 0.83 IDO1 (0.61) IDO1NOS1NOS3NOS2TDP1
SCHEMBL162537 0.83 CA12 (0.63) IDO1NOS1NOS3NOS2TDP1
SCHEMBL7871370 0.81 IDO1 (0.54) IDO1NOS1NOS3NOS2TDP1
Hydrochloric Acid SCHEMBL5506584 0.81 IDO1 (0.63) IDO1NOS1NOS3NOS2TDP1
SCHEMBL12349707 0.81 IDO1 (0.54) IDO1NOS1NOS3NOS2TDP1
Bromide SCHEMBL1244857 0.81 IDO1 (0.63) IDO1NOS1NOS3NOS2TDP1
SCHEMBL42484 0.81 IDO1 (0.54) IDO1NOS1NOS3NOS2TDP1
Bromide SCHEMBL8425388 0.79 IDO1 (0.52) IDO1NOS1NOS3NOS2TDP1
SCHEMBL7277542 0.78 IDO1 (0.50) IDO1NOS1NOS3NOS2TDP1
SCHEMBL5827235 0.78 IDO1 (0.50) IDO1NOS1NOS3NOS2TDP1

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 402 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069291-B1 HDAC INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2017-12-20 EP claimed
EP-2864318-B1 2-AMINOPYRAZINE DERIVATIVES AS CSF-1R KINASE INHIBITORS MACROPHAGE PHARMA LTD (GB) 2017-08-09 EP claimed
US-9725407-B2 HDAC inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-08-08 US claimed
CN-104151200-B Hdac inhibitor 葛兰素史克知识产权发展有限公司 2017-06-20 CN claimed
US-20160137594-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2016-05-19 US claimed
US-9133104-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2015-09-15 US claimed
US-20150126534-A1 ENZYME AND RECEPTOR MODULATION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-05-07 US claimed
US-8962825-B2 Hydroxamates as inhibitors of histone deacetylase GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-02-24 US claimed
CN-104151200-A Hdac inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENTLTD 2014-11-19 CN claimed
CN-101528677-B Hdac inhibitors GSK IP DEV CORP 2014-07-30 CN claimed
WO-1997003783-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-02-06 WO claimed
CN-1138851-A Metalloproteinase inhibitors BRITISH BIOTECH PHARM (GB) 1996-12-25 CN claimed
EP-0740652-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1996-11-06 EP claimed
EP-0740655-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1996-11-06 EP claimed
WO-1996033165-A1 DERIVATIVES OF SUCCINAMIDE AND THEIR USE AS METALLOPROTEINASE INHIBITOR BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1996-10-24 WO claimed
WO-1996033161-A1 DERIVATIVES OF SUCCINAMIDE AND THEIR USE AS METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1996-10-24 WO claimed
WO-1995035275-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-12-28 WO claimed
WO-1995032944-A1 SUCCINYL HYDROXAMIC ACID, N-FORMYL-N-HYDROXY AMINO CARBOXYLIC ACID AND SUCCINIC ACID AMIDE DERIVATIVES AS METALLOPROTEASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-12-07 WO claimed
WO-1995019961-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-07-27 WO claimed
WO-1995019956-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-07-27 WO claimed

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-20160137594-A1 HDAC INHIBITORS HDAC1, HDAC11, HDAC2 IDO1 528/4885NOS1 662/4885NOS3 1260/4885
US-20150126534-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP IDO1 3015/4885NOS1 3326/4885NOS3 3766/4885

“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.