SCHEMBL651026

SCHEMBL651026

CCNN(C=O)c1ncc(/C=C2\SC(=Nc3ccc4c(ccn4CCN4CCOCC4)c3)NC2=O)s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.34
RAB9A P51151 4/20 0.34
HCRTR1 O43613 1/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
KMT2A Q03164 8/20 0.33
ACHE P22303 3/20 0.33
POLB P06746 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PSMD14 O00487 1/20 0.33
MEN1 O00255 7/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 2/20 0.33
USP2 O75604 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
SAE1 Q9UBE0 1/20 0.33
UBA2 Q9UBT2 1/20 0.33

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
SCHEMBL651596 0.88 NOS3 (0.34) MAPTRAB9AHCRTR1NOS3NOS1
SCHEMBL10176461 0.82 ABL1 (0.35) MAPTRAB9AHCRTR1NOS3NOS1
SCHEMBL651474 0.82 NOS3 (0.35) MAPTRAB9AHCRTR1NOS3NOS1
SCHEMBL651037 0.81 NOS3 (0.36) MAPTRAB9AHCRTR1NOS3NOS1
SCHEMBL10176418 0.80 MAPK1 (0.37) MAPTRAB9AHCRTR1NOS3NOS1
SCHEMBL650363 0.78 HTR6 (0.33) MAPTRAB9AHCRTR1NOS3NOS1
SCHEMBL649047 0.74 MAPT (0.41) MAPTRAB9AHCRTR1KMT2APOLB
SCHEMBL10176421 0.74 NOS3 (0.36) MAPTRAB9AHCRTR1NOS3NOS1
SCHEMBL10176423 0.73 NOS3 (0.38) MAPTRAB9AHCRTR1NOS3NOS1
SCHEMBL652184 0.71 MAPT (0.42) MAPTRAB9AKMT2APOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119812-B2 Thiazolidinone derivative SBI BIOTECH CO., LTD. (JP) 2012-02-21 US disclosed
US-8119586-B2 Composition containing an esterified substituted benzene sulfonate THE PROCTER AND GAMBLE COMPANY (US) 2012-02-21 US disclosed
US-20110190299-A1 THIAZOLIDINONE DERIVATIVE SBI BIOTECH CO., LTD. (JP) 2011-08-04 US disclosed
US-20110112317-A1 Composition Containing an Esterified Substituted Benzene Sulfonate SCHEIBEL JEFFREY JOHN 2011-05-12 US disclosed
EP-1951857-B1 COMPOSITION CONTAINING AN ESTERIFIED SUBSTITUTED BENZENE SULFONATE PROCTER & GAMBLE (US) 2011-02-23 EP disclosed
US-7892362-B2 Composition containing an esterified substituted benzene sulfonate THE PROCTER & GAMBLE COMPANY (US) 2011-02-22 US disclosed
US-20100024135-A1 COMPOSITION CONTAINING AN ESTERIFIED SUBSTITUTED BENZENE SULFONATE THE PROCTER & GAMBLE COMPANY 2010-02-04 US disclosed
US-7585376-B2 Composition containing an esterified substituted benzene sulfonate THE PROCTER & GAMBLE COMPANY (US) 2009-09-08 US disclosed
US-20070105742-A1 Composition containing an esterified substituted benzene sulfonate PROCTER & GAMBLE COMPANY, THE 2007-05-10 US 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-20110190299-A1 THIAZOLIDINONE DERIVATIVE CDC7, CDK17, CDCA2 MAPT 3657/4885RAB9A 3157/4885HCRTR1 4349/4885
US-20110112317-A1 Composition Containing an Esterified Substituted Benzene Sulfonate HDHD5, STS, PRDX4 MAPT 2658/4885RAB9A 4700/4885HCRTR1 4331/4885

“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.