SCHEMBL20495271

SCHEMBL20495271

CCOC(=O)CC1C=CC=CC1=[N+]=[N-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
CYP1A2 P05177 1/20 0.33
IDO1 P14902 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 3/20 0.32
TRPA1 O75762 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 3/20 0.31
MAPT P10636 2/20 0.31
MIF P14174 1/20 0.31
MEN1 O00255 1/20 0.31
PKM P14618 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL6924804 0.80 GSK3A (0.41) GSK3AGSK3BMGAMGAASI
SCHEMBL28344708 0.78 MGAM (0.38) GSK3AGSK3BMGAMGAASI
SCHEMBL11167668 0.75 GSK3A (0.34) GSK3AGSK3BMGAMGAASI
SCHEMBL6208627 0.74 GSK3A (0.33) GSK3AGSK3BMGAMGAASI
SCHEMBL6208633 0.74 GSK3A (0.33) GSK3AGSK3BMGAMGAASI
SCHEMBL29504097 0.68
SCHEMBL30774980 0.67
SCHEMBL27963444 0.67 TDP1 (0.33)
SCHEMBL28344329 0.67
SCHEMBL7398001 0.64 CYP1A2 (0.48) CYP1A2IDO1ALDH1A1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10745673-B2 Heme protein catalysts for carbon-boron bond formation in vitro and in vivo CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2020-08-18 US disclosed
US-20180273917-A1 HEME PROTEIN CATALYSTS FOR CARBON-BORON BOND FORMATION IN VITRO AND IN VIVO CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-09-27 US disclosed
WO-2018165325-A1 HEME PROTEIN CATALYSTS FOR CARBON-BORON BOND FORMATION IN VITRO AND IN VIVO CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-09-13 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-10745673-B2 Heme protein catalysts for carbon-boron bond formation in vitro and in vivo HMBS, PPOX, MB GSK3A 2914/4885GSK3B 2197/4885MGAM 397/4885

“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.