SCHEMBL4521046

SCHEMBL4521046

Cc1ccccc1CNC(=O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 1.00
HPGD P15428 4/20 1.00
KDM4E B2RXH2 2/20 0.71
LMNA P02545 2/20 0.71
MAPT P10636 2/20 0.71
HTT P42858 1/20 0.69
CA2 P00918 1/20 0.68
PPARG P37231 2/20 0.64
GAA P10253 1/20 0.59
KMT2A Q03164 1/20 0.59
EPHX2 P34913 1/20 0.58
TAOK1 Q7L7X3 1/20 0.57
TAOK3 Q9H2K8 1/20 0.57
NAMPT P43490 1/20 0.56

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
SCHEMBL4503669 0.88 HPGD (0.79) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL30780061 0.87 HPGD (0.77) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL1568387 0.87 HPGD (0.77) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL19630528 0.87 HPGD (0.77) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL2017132 0.85 ALDH1A1 (0.73) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL28646195 0.84 HPGD (0.72) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL28643598 0.84 ALDH1A1 (0.72) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL29200012 0.83 ALDH1A1 (0.70) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL30474251 0.83 ALDH1A1 (0.70) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL10425900 0.83 HPGD (0.70) ALDH1A1HPGDKDM4ELMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108864185-B β -phosphonoenamine derivatives and process for their preparation 苏州大学 2020-05-08 CN disclosed
CN-105820061-A Method for synthesizing N-alkylamide 南京理工大学 2016-08-03 CN disclosed
US-8530506-B2 Process for production of biphenyl derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-09-10 US disclosed
US-20120232283-A1 PROCESS FOR PRODUCTION OF BIPHENYL DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-09-13 US disclosed
US-7589089-B2 Inhibitors for GlyT-1 HOFFMANN-LA ROCHE INC. (US) 2009-09-15 US disclosed
US-20080058331-A1 Inhibitors for GlyT-1 HOFFMANN-LA ROCHE INC. 2008-03-06 US disclosed
US-7241759-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 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-20080058331-A1 Inhibitors for GlyT-1 GLRA1, SLC1A2, AGXT ALDH1A1 867/4885HPGD 3821/4885KDM4E 1690/4885
US-20120232283-A1 PROCESS FOR PRODUCTION OF BIPHENYL DERIVATIVE AGTR2, AGTR1, ACE ALDH1A1 906/4885HPGD 1325/4885KDM4E 1938/4885

“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.