SCHEMBL2200631

SCHEMBL2200631

NCC(=O)NCCC(N)=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.38
CA1 P00915 2/20 0.38
ECE1 P42892 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MMP2 P08253 1/20 0.32
CASP2 P42575 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
AOC3 Q16853 1/20 0.31
GLRA1 P23415 1/20 0.30
SLC6A9 P48067 1/20 0.30
OR51E2 Q9H255 1/20 0.30
TSHR P16473 1/20 0.30
CACNA1G O43497 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
SCHEMBL23890277 0.91 TERT (0.36) CA2CA1ECE1ALDH1A1MAOA
SCHEMBL17177667 0.88 ALDH1A1 (0.41) CA2CA1ALDH1A1MEN1KMT2A
SCHEMBL21320655 0.86 MEN1 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2CASP2
SCHEMBL10276926 0.84 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2CASP2
SCHEMBL12573540 0.83 TSHR (0.42) CA2CA1ECE1ALDH1A1MMP2
SCHEMBL3074874 0.81 CA2 (0.44) CA2CA1ALDH1A1MEN1KMT2A
SCHEMBL7765731 0.80 ALDH1A1 (0.54) ECE1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL385127 0.80 ECE1 (0.58) ECE1KMT2AITGB3ITGA2BGLRA1
SCHEMBL5840295 0.80 CA2 (0.38) CA2CA1ECE1ALDH1A1MEN1
SCHEMBL13368240 0.80 ECE1 (0.37) ECE1ALDH1A1MEN1KMT2ASMN1; SMN2

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
EP-3101032-B1 ANTI-HER2 ANTIBODY-DRUG CONJUGATE DAIICHI SANKYO CO LTD (JP) 2019-01-16 EP disclosed
EP-1658263-B9 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA AS (DK) 2011-11-09 EP disclosed
US-7977387-B2 Aminobenzophenone compounds LEO PHARMA A/S (DK) 2011-07-12 US disclosed
EP-1658263-B1 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA AS (DK) 2010-06-02 EP disclosed
US-20060166990-A1 Novel aminobenzophenone compounds LEO PHARMA A/S (DK) 2006-07-27 US disclosed
EP-1658263-A1 NOVEL AMINOBENZOPHENONE COMPOUNDS Leo Pharma A/S (DK) 2006-05-24 EP disclosed
WO-2005009940-A1 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA A/S (DK) 2005-02-03 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-20060166990-A1 Novel aminobenzophenone compounds NFKBIA, UACA, ALDH7A1 CA2 3933/4885CA1 4843/4885ECE1 561/4885

“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.