SCHEMBL19713073

SCHEMBL19713073

CO/N=C1\CCCc2cccc(Br)c21

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
MAPT P10636 6/20 0.33
NPC1 O15118 1/20 0.33
L3MBTL1 Q9Y468 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
PKM P14618 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
G6PC1 P35575 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
GRM5 P41594 1/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 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
SCHEMBL23585229 0.82 ALOX12 (0.40) ALDH1A1MAPTNPC1L3MBTL1MEN1
SCHEMBL19726779 0.81 MAPT (0.33) ALDH1A1MAPTNPC1L3MBTL1MEN1
SCHEMBL27055104 0.81 BCL2L1 (0.41) ALDH1A1MAPTNPC1L3MBTL1MEN1
SCHEMBL18204519 0.81 MAPT (0.36) ALDH1A1MAPTNPC1L3MBTL1MEN1
SCHEMBL18204518 0.81 MAPT (0.36) ALDH1A1MAPTNPC1L3MBTL1MEN1
SCHEMBL30846777 0.76 GAA (0.30) MAPTGAAHTT
SCHEMBL31048409 0.76 ALDH1A1 (0.36) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL26059295 0.76 KDM4E (0.32) MAPTNPC1GAASMN1; SMN2HTT
SCHEMBL31650059 0.76 ALDH1A1 (0.36) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL25642895 0.76 ALDH1A1 (0.36) ALDH1A1MAPTMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3227018-B1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS UNIV VIRGINIA COMMONWEALTH (US) 2021-06-30 EP disclosed
EP-3227018-B1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS UNIV VIRGINIA COMMONWEALTH (US) 2021-06-30 EP disclosed
US-10000453-B2 Chelation directed C—H activation reactions catalyzed by solid-supported palladium(II) catalysts VIRGINIA COMMONWEALTH UNIVERSITY (US) 2018-06-19 US disclosed
US-10000453-B2 Chelation directed C—H activation reactions catalyzed by solid-supported palladium(II) catalysts VIRGINIA COMMONWEALTH UNIVERSITY (US) 2018-06-19 US disclosed
US-20170362181-A1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS VIRGINIA COMMONWEALTH UNIVERSITY 2017-12-21 US disclosed
US-20170362181-A1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS VIRGINIA COMMONWEALTH UNIVERSITY 2017-12-21 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-20170362181-A1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS WASF2, SCO2, SOD1 ALDH1A1 2424/4885MAPT 2594/4885NPC1 4103/4885
US-10000453-B2 Chelation directed C—H activation reactions catalyzed by solid-supported palladium(II) catalysts WASF2, SOD1, CD274 ALDH1A1 2403/4885MAPT 2583/4885NPC1 4134/4885

“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.