SCHEMBL5523100

SCHEMBL5523100

CCC(N)(CC)C(=O)Nc1cc[c]cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
S1PR1 P21453 4/20 0.38
S1PR3 Q99500 4/20 0.38
S1PR4 O95977 2/20 0.38
S1PR5 Q9H228 2/20 0.38
PDK1 Q15118 5/20 0.38
PDK2 Q15119 5/20 0.38
PDK3 Q15120 5/20 0.38
PDK4 Q16654 5/20 0.38

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
SCHEMBL4573229 0.83 L3MBTL1 (0.52) L3MBTL1MEN1KMT2ATDP1CA12
SCHEMBL28134387 0.81 PDK1 (0.51) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL54917 0.79 L3MBTL1 (0.75) L3MBTL1MEN1KMT2ACA12CA1
SCHEMBL5201283 0.77 L3MBTL1 (0.54) L3MBTL1MEN1KMT2ATDP1CA12
SCHEMBL751975 0.74 MTNR1B (0.47) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL202154 0.73 CA12 (0.53) L3MBTL1MEN1KMT2ACA12CA1
SCHEMBL98001 0.73 GAA (0.56) MEN1KMT2ACA12CA1CA2
SCHEMBL3760341 0.73 POLB (0.57) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL12226380 0.71 L3MBTL1 (0.61) L3MBTL1MEN1KMT2ATDP1CA12
SCHEMBL10962729 0.70 HPGD (0.62) L3MBTL1MEN1KMT2ACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7179832-B2 Glycogen synthase kinase 3β inhibitor, composition and process for the preparation thereof CRYSTALGENOMICS, INC. (KR) 2007-02-20 US disclosed
US-20060079521-A1 Glycogen synthase kinase 3beta inhibitor, composition and process for the preparation thereof CRYSTALGENOMICS, INC. (KR) 2006-04-13 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-20060079521-A1 Glycogen synthase kinase 3beta inhibitor, composition and process for the preparation thereof GSK3B, GSK3A, GYS2 L3MBTL1 4202/4885MEN1 4192/4885KMT2A 2546/4885

“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.