SCHEMBL21176216

SCHEMBL21176216

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 3/20 0.40
LMNA P02545 1/20 0.40
LAP3 P28838 2/20 0.39
ANPEP P15144 1/20 0.39
RNPEP Q9H4A4 1/20 0.39
DNPEP Q9ULA0 1/20 0.39
GAA P10253 2/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL19975274 0.82 PTGIR (0.41) KMT2AALDH1A1MEN1GAACYP2C19
SCHEMBL19974711 0.80 MEN1 (0.49) KMT2AALDH1A1MEN1MAPTHPGD
SCHEMBL19975353 0.80 BCHE (0.45) KMT2AALDH1A1MEN1GAASMN1; SMN2
SCHEMBL19974728 0.80 BCHE (0.42) KMT2AALDH1A1MEN1GAASMN1; SMN2
SCHEMBL21176166 0.79 BCHE (0.46) KMT2AALDH1A1MEN1GAASMN1; SMN2
SCHEMBL21176280 0.78 KMT2A (0.49) KMT2AALDH1A1MEN1MAPTHPGD
SCHEMBL19975099 0.78 HPGD (0.46) KMT2AALDH1A1MEN1MAPTHPGD
SCHEMBL19975405 0.77 MASP2 (0.49) KMT2AALDH1A1MEN1MAPTLMNA
SCHEMBL19975026 0.74 PIN1 (0.42) KMT2AALDH1A1MEN1MAPTLMNA
SCHEMBL6743611 0.71 ALDH1A1 (0.38) KMT2AALDH1A1MEN1LMNASMN1; SMN2

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 5 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-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
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 4031/4885ALDH1A1 2271/4885MEN1 4331/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C KMT2A 4177/4885ALDH1A1 2673/4885MEN1 4361/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C KMT2A 4031/4885ALDH1A1 2271/4885MEN1 4331/4885

“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.