SCHEMBL5622141

SCHEMBL5622141

CC(C)(C)OC(=O)Nc1c(C(=O)N2CCOCC2)sc2cnccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELE P16581 3/20 0.42
ICAM1 P05362 2/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
CASP1 P29466 1/20 0.40
HTT P42858 1/20 0.40
CASP7 P55210 1/20 0.40
NCOA1 Q15788 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RCE1 Q9Y256 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NAMPT P43490 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
CNR1 P21554 1/20 0.37

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
SCHEMBL4766739 0.84 CNR1 (0.44) SELEICAM1ALDH1A1HPGDKDM4E
SCHEMBL5622407 0.80 KDM4E (0.45) SELEICAM1ALDH1A1HPGDKDM4E
SCHEMBL4721930 0.78 BRAF (0.50) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL5622143 0.76 KDM4E (0.45) SELEICAM1ALDH1A1HPGDKDM4E
SCHEMBL4724657 0.76 NAMPT (0.44) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL5622089 0.76 HPGD (0.54) SELEICAM1ALDH1A1HPGDKDM4E
SCHEMBL4763709 0.76 KDM4E (0.44) SELEICAM1ALDH1A1HPGDKDM4E
SCHEMBL5620688 0.72 KDM4E (0.42) SELEICAM1ALDH1A1HPGDKDM4E
SCHEMBL4765913 0.72 NAMPT (0.47) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL27825703 0.71 KDM4E (0.54) ALDH1A1HPGDKDM4EHSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. 2007-03-01 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 (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-20070049603-A1 Raf inhibitor compounds and methods of use thereof BRAF, RAF1, ARAF SELE 4155/4885ICAM1 4348/4885ALDH1A1 1842/4885

“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.