SCHEMBL21176343

SCHEMBL21176343

COc1ccccc1N(C=O)C(C)(Cc1cccnc1)C(=O)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NOTUM Q6P988 1/20 0.40
HPGD P15428 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
USP2 O75604 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GFER P55789 1/20 0.38
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
RECQL P46063 1/20 0.38
NAMPT P43490 1/20 0.38
HTT P42858 1/20 0.38
PDE4A P27815 1/20 0.37

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
SCHEMBL28876074 0.88 MEN1 (0.38) ALDH1A1POLBSMN1; SMN2HPGDLMNA
SCHEMBL21176344 0.72 ALDH1A1 (0.44) ALDH1A1POLBSMN1; SMN2NOTUMHPGD
SCHEMBL27504718 0.67 CYP1A2 (0.49) ALDH1A1LMNAKDM4EMMP1MMP9
SCHEMBL29795260 0.67 CYP1A2 (0.49) ALDH1A1LMNAKDM4EMMP1MMP9
SCHEMBL27457037 0.66 CYP1A2 (0.54) ALDH1A1LMNARECQLHTT
SCHEMBL28316644 0.66 NR3C1 (0.39) ALDH1A1POLBSMN1; SMN2NPSR1GAA
SCHEMBL21176346 0.66 ALDH1A1 (0.56) ALDH1A1POLBSMN1; SMN2HPGDL3MBTL1
SCHEMBL29465171 0.63 NAPRT (0.51) ALDH1A1LMNAKDM4EMMP1MMP9
SCHEMBL29725514 0.63 CYP1A2 (0.50) ALDH1A1LMNAGAAPKMMMP1
SCHEMBL74145 0.63 CYP1A2 (0.55) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 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-20190225575-A1 ANTIVIRAL COMPOUNDS PLA2G1B, PLA2G12A, PLA2G4C ALDH1A1 2271/4885POLB 833/4885SMN1; SMN2 706/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C ALDH1A1 2271/4885POLB 833/4885SMN1; SMN2 706/4885

“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.