SCHEMBL1395221

SCHEMBL1395221

CC(=O)c1cccc(-c2ccncc2)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
CSNK1A1 P48729 1/20 0.46
CSNK1D P48730 1/20 0.46
CLK2 P49760 1/20 0.46
CSNK1G1 Q9HCP0 1/20 0.46
CCNC P24863 2/20 0.43
CDK8 P49336 2/20 0.43
CYP46A1 Q9Y6A2 1/20 0.42
TYK2 P29597 1/20 0.41
EPHX1 P07099 1/20 0.40
HTT P42858 1/20 0.40
PARP10 Q53GL7 1/20 0.39
PARP11 Q9NR21 1/20 0.39
MAPK14 Q16539 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
LRRK2 Q5S007 1/20 0.38
PDE10A Q9Y233 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 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
SCHEMBL13065950 0.84 PDCD1 (0.52) ALDH1A1HTTL3MBTL1
SCHEMBL9208056 0.84 ALDH1A1 (0.58) ALDH1A1CSNK1A1CSNK1DCLK2CSNK1G1
SCHEMBL2782196 0.81 ALDH1A1 (0.45) ALDH1A1CSNK1A1CSNK1DCLK2CSNK1G1
SCHEMBL25550174 0.81 MYC (0.44) ALDH1A1KDM4CL3MBTL1
Bromide SCHEMBL28360787 0.78 ALDH1A1 (0.60) ALDH1A1CYP46A1HTTKDM4CL3MBTL1
SCHEMBL3904005 0.76 TYK2 (0.49) ALDH1A1CSNK1A1CSNK1DCLK2CSNK1G1
SCHEMBL13000747 0.74 ALDH1A1 (0.44) ALDH1A1CCNCCDK8HTTPARP10
SCHEMBL21742828 0.74 NOTUM (0.58) ALDH1A1CSNK1DEPHX1HTTMAPK14
SCHEMBL19229926 0.72 CYP46A1 (0.69) ALDH1A1CSNK1A1CSNK1DCLK2CSNK1G1
SCHEMBL18367730 0.71 CD274 (0.70) CCNCCDK8EPHX1PARP10PARP11

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-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 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-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 ALDH1A1 132/4885CSNK1A1 2270/4885CSNK1D 3031/4885

“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.