SCHEMBL21176280

SCHEMBL21176280

CC(C)CNC(=O)C(=O)C(C)N(C=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
MEN1 O00255 3/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
HPGD P15428 2/20 0.40
GAA P10253 2/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 1/20 0.37
RECQL P46063 1/20 0.37
LMNA P02545 1/20 0.37
ANPEP P15144 1/20 0.36
RNPEP Q9H4A4 1/20 0.36
DNPEP Q9ULA0 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL21176277 0.82 PTGIR (0.41) CYP2C19
SCHEMBL19975208 0.80 EPHX1 (0.43) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL19975136 0.80 EPHX1 (0.40) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL19975096 0.80 HPGD (0.47) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL19975258 0.80 KMT2A (0.55) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL19975148 0.79 EPHX1 (0.45) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL21176216 0.78 KMT2A (0.42) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL19975099 0.78 HPGD (0.46) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL19975316 0.77 MASP2 (0.44) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL7815263 0.75 ALDH1A1 (0.40) KMT2AALDH1A1SMN1; SMN2LMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220356148-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2022-11-10 US disclosed
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 (3 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 KMT2A 4031/4885MEN1 4331/4885ALDH1A1 2271/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C KMT2A 4177/4885MEN1 4361/4885ALDH1A1 2673/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C KMT2A 4031/4885MEN1 4331/4885ALDH1A1 2271/4885

“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.