SCHEMBL871979

SCHEMBL871979

COc1ccc(NC(=O)C2CC2c2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.70
ALDH1A1 P00352 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
LMNA P02545 2/20 0.64
NAMPT P43490 2/20 0.64
GAA P10253 1/20 0.64
HTT P42858 1/20 0.64
USP2 O75604 1/20 0.64
SCN3A Q9NY46 1/20 0.60
ITK Q08881 1/20 0.60
GPR88 Q9GZN0 1/20 0.58
MAPT P10636 2/20 0.57
GRIN2B Q13224 1/20 0.57
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
TRPM8 Q7Z2W7 1/20 0.55
HDAC4 P56524 1/20 0.55
MEN1 O00255 1/20 0.54
HPGD P15428 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
SCHEMBL10123277 1.00 DEGS1 (0.70) DEGS1ALDH1A1SMN1; SMN2LMNANAMPT
SCHEMBL20284021 0.88 DEGS1 (0.68) DEGS1ALDH1A1SMN1; SMN2LMNANAMPT
SCHEMBL15706299 0.85 DEGS1 (0.82) DEGS1ALDH1A1SMN1; SMN2LMNANAMPT
SCHEMBL14014144 0.84 DEGS1 (0.76) DEGS1ALDH1A1SMN1; SMN2LMNANAMPT
SCHEMBL2233174 0.84 DEGS1 (0.76) DEGS1ALDH1A1SMN1; SMN2LMNANAMPT
SCHEMBL20284029 0.84 ALDH1A1 (0.69) DEGS1ALDH1A1SMN1; SMN2LMNANAMPT
SCHEMBL20284448 0.82 DEGS1 (1.00) DEGS1ALDH1A1SMN1; SMN2LMNANAMPT
SCHEMBL21522275 0.82 DEGS1 (1.00) DEGS1ALDH1A1SMN1; SMN2LMNANAMPT
SCHEMBL15560342 0.81 DEGS1 (0.76) DEGS1ALDH1A1SMN1; SMN2LMNANAMPT
SCHEMBL16845366 0.81 DEGS1 (0.76) DEGS1ALDH1A1SMN1; SMN2LMNANAMPT

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
US-20120077959-A1 Asymmetric Cobalt-Catalyzed Cyclopropanation With Succinimidyl Diazoacetate NATIONAL SCIENCE FOUNDATION 2012-03-29 US disclosed
US-20120077959-A1 Asymmetric Cobalt-Catalyzed Cyclopropanation With Succinimidyl Diazoacetate NATIONAL SCIENCE FOUNDATION 2012-03-29 US disclosed
US-20120077959-A1 Asymmetric Cobalt-Catalyzed Cyclopropanation With Succinimidyl Diazoacetate NATIONAL SCIENCE FOUNDATION 2012-03-29 US disclosed
WO-2010094029-A2 ASYMMETRIC CYCLOPROPANATION WITH SUCCINIMIDYL DIAZOACETATE UNIVERSITY OF SOUTH FLORIDA (US) 2010-08-19 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-20120077959-A1 Asymmetric Cobalt-Catalyzed Cyclopropanation With Succinimidyl Diazoacetate SI, STOM, SUCLA2 DEGS1 1648/4885ALDH1A1 3839/4885SMN1; SMN2 609/4885

“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.