SCHEMBL24065709

SCHEMBL24065709

CCNC(=O)N(C(N)=O)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 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
SCHEMBL23187897 0.78 ALDH1A1 (0.35) ALDH1A1GAACHRNB2CHRNB4CHRNA3
SCHEMBL19853393 0.76 CHRNB2 (0.35) ALDH1A1GAACHRNB2CHRNB4CHRNA3
SCHEMBL22693840 0.74 POLB (0.34) ALDH1A1GAAMMP1MMP2MMP9
SCHEMBL6686579 0.74 ALOX5 (0.37) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3276345 0.73 ALDH1A1 (0.41) ALDH1A1GAACHRNB2CHRNB4CHRNA3
SCHEMBL966430 0.71 CHRNB2 (0.40) ALDH1A1GAACHRNB2CHRNB4CHRNA3
SCHEMBL12016262 0.70 ALDH1A1 (0.42) ALDH1A1GAAMMP1MMP2MMP3
SCHEMBL967637 0.70 ALDH1A1 (0.42) ALDH1A1GAACHRNB2CHRNB4CHRNA3
SCHEMBL11522808 0.68
SCHEMBL6686576 0.67 ALOX5 (0.34)

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-20210371576-A1 INDOLE-BASED COMPOUNDS RECTICEL ENGINEERED FOAMS BELGIUM (BE) 2021-12-02 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-20210371576-A1 INDOLE-BASED COMPOUNDS IDO1, F12, CHRM1 ALDH1A1 231/4885GAA 4826/4885CHRNB2 1698/4885

“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.