SCHEMBL25040447

SCHEMBL25040447

CNCCNC(=O)CN1CCN(CC=O)CCN(CC(=O)O)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
SIGMAR1 Q99720 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 2/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 1/20 0.35
MDM2 Q00987 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34

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
SCHEMBL14403436 0.92 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2SIGMAR1TDP1TSHR
SCHEMBL26207612 0.92 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2SIGMAR1TDP1TSHR
SCHEMBL18545126 0.88 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2SIGMAR1TDP1TSHR
SCHEMBL25964301 0.87 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2SIGMAR1TDP1MEN1
SCHEMBL19186264 0.86 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2SIGMAR1TDP1TSHR
SCHEMBL21319581 0.84 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2SIGMAR1TSHRMEN1
SCHEMBL12327463 0.84 HSD17B10 (0.39) ALDH1A1SMN1; SMN2TDP1KDM4EHSD17B10
SCHEMBL12327042 0.84 HSD17B10 (0.39) ALDH1A1SMN1; SMN2TDP1KDM4EHSD17B10
SCHEMBL24540412 0.84 HSD17B10 (0.39) ALDH1A1SMN1; SMN2TDP1KDM4EHSD17B10
SCHEMBL25576425 0.84 HSD17B10 (0.39) ALDH1A1SMN1; SMN2TDP1KDM4EHSD17B10

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-20230047529-A1 METHOD FOR SYNTHESIZING ZIRCONIUM COMPLEX JFE ENGINEERING CORPORATION (JP) 2023-02-16 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-20230047529-A1 METHOD FOR SYNTHESIZING ZIRCONIUM COMPLEX ZRANB2, ZFP3, ZNF787 ALDH1A1 4708/4885SMN1; SMN2 3939/4885SIGMAR1 2705/4885

“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.