SCHEMBL21669658

SCHEMBL21669658

COC(=O)c1cn(CCOCCOCCOCCN)nn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
MAPK14 Q16539 1/20 0.40
FOLH1 Q04609 1/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.37
MAPK1 P28482 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
NOTUM Q6P988 1/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL20047036 0.87 ALDH1A1 (0.53) MAPK14ALDH1A1LMNAGLAMAPK1
SCHEMBL24841212 0.86 MAPT (0.46) MGAMGAASIMGAM2MAPK14
SCHEMBL15775618 0.86 MGAM (0.45) MGAMGAASIMGAM2CA12
SCHEMBL15223766 0.85 GLS (0.43) MAPK14FOLH1
SCHEMBL12287510 0.85 CA5A (0.48) MAPK14FOLH1MAPT
SCHEMBL20047100 0.85 DPP4 (0.46) MAPK14FOLH1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL15775617 0.84 MGAM (0.44) MGAMGAASIMGAM2CA12
SCHEMBL15223703 0.84 GLS (0.43) MAPK14FOLH1
SCHEMBL13350012 0.83 CA5A (0.49) MAPK14FOLH1ALDH1A1LMNAMAPT
SCHEMBL15776269 0.83 MGAM (0.44) MGAMGAASIMGAM2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200039943-A1 COMPOUNDS, DEVICES, AND USES THEREOF SIGILON THERAPEUTICS, INC. 2020-02-06 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 (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-20200039943-A1 COMPOUNDS, DEVICES, AND USES THEREOF SLC10A1, SLCO1B3, SLC5A1 MGAM 1277/4885GAA 376/4885SI 250/4885

“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.