SCHEMBL18650100

SCHEMBL18650100

CC(=O)N/N=C(\C)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 4/20 0.44
LMNA P02545 3/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CRBN Q96SW2 1/20 0.32
CA2 P00918 1/20 0.32
PTGS1 P23219 1/20 0.32
MMP12 P39900 1/20 0.32
USP2 O75604 1/20 0.32
NFKB1 P19838 1/20 0.30
EPHX1 P07099 1/20 0.30

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
SCHEMBL14938469 0.82 GAA (0.46) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL16590553 0.82 ALDH1A1 (0.44) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL14938470 0.82 GAA (0.46) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL13108911 0.80 ALDH1A1 (0.43) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL16387631 0.79 MAPT (0.39) ALDH1A1KDM4ELMNAMAPTKMT2A
SCHEMBL18680191 0.77 KDM4E (0.43) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL14938464 0.75 RAB9A (0.47) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL14938462 0.75 RAB9A (0.47) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL18193351 0.72 MAPT (0.42) ALDH1A1KDM4EMAPTCYP1A2KMT2A
SCHEMBL131896 0.71

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
WO-2019051488-A1 COMPOUNDS COMPOSITIONS, AND METHODS FOR THE TREATMENT OF DISEASE SPEROVIE BIOSCIENCES, INC. (US) 2019-03-14 WO disclosed
US-20170101429-A1 METAL ORGANIC FRAMEWORKS COMPRISING A PLURALITY OF SBUS WITH DIFFERENT METAL IONS AND/OR A PLURALITY OF ORGANIC LINKING LIGANDS WITH DIFFERENT FUNCTIONAL GROUPS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-04-13 US disclosed
US-20170101429-A1 METAL ORGANIC FRAMEWORKS COMPRISING A PLURALITY OF SBUS WITH DIFFERENT METAL IONS AND/OR A PLURALITY OF ORGANIC LINKING LIGANDS WITH DIFFERENT FUNCTIONAL GROUPS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-04-13 US disclosed
US-20170081346-A1 MESOSCOPIC MATERIALS COMPRISED OF ORDERED SUPERLATTICES OF MICROPOROUS METAL-ORGANIC FRAMEWORKS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-03-23 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-20170081346-A1 MESOSCOPIC MATERIALS COMPRISED OF ORDERED SUPERLATTICES OF MICROPOROUS METAL-ORGANIC FRAMEWORKS MCM2, YTHDF2, MCM6 ALDH1A1 2926/4885KDM4E 1665/4885LMNA 3286/4885
US-20170101429-A1 METAL ORGANIC FRAMEWORKS COMPRISING A PLURALITY OF SBUS WITH DIFFERENT METAL IONS AND/OR A PLURALITY OF ORGANIC LINKING LIGANDS WITH DIFFERENT FUNCTIONAL GROUPS EPCAM, SOD1, SBDS ALDH1A1 1971/4885KDM4E 3868/4885LMNA 4477/4885

“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.