SCHEMBL21176344

SCHEMBL21176344

COc1ccccc1N(C=O)C(CCc1cccnc1)C(=O)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
PTAFR P25105 8/20 0.42
HPGD P15428 2/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
SLC1A5 Q15758 1/20 0.39
NOTUM Q6P988 1/20 0.39
LMNA P02545 1/20 0.39
GFER P55789 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL21176346 0.74 ALDH1A1 (0.56) ALDH1A1HPGDPOLBSMN1; SMN2GAA
SCHEMBL19975516 0.72 KMT2A (0.41) ALDH1A1HPGDPOLBSMN1; SMN2GAA
SCHEMBL21176343 0.72 ALDH1A1 (0.46) ALDH1A1HPGDPOLBSMN1; SMN2GAA
SCHEMBL28876091 0.71 ESR1 (0.41) ALDH1A1HPGDPOLBSMN1; SMN2PKM
SCHEMBL28316331 0.69 HPGD (0.40) HPGDPOLBSMN1; SMN2LMNAHTT
SCHEMBL22445205 0.69 ALDH1A1 (0.47) ALDH1A1GAAPKMLMNA
SCHEMBL10666702 0.66 PTAFR (0.49) ALDH1A1PTAFRPOLBSMN1; SMN2
SCHEMBL19974842 0.65 KMT2A (0.43) ALDH1A1HPGDPOLBSMN1; SMN2GAA
SCHEMBL25183106 0.64 LMNA (0.48) SLC1A5LMNA
SCHEMBL10618105 0.64 LMNA (0.43) PTAFRPKMLMNA

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 2271/4885PTAFR 1096/4885HPGD 1205/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C ALDH1A1 2271/4885PTAFR 1096/4885HPGD 1205/4885

“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.