SCHEMBL19974855

SCHEMBL19974855

COc1ccccc1NC(C)C(O)C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MAPT P10636 3/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
POLB P06746 2/20 0.46
HSD17B10 Q99714 1/20 0.46
LRRK2 Q5S007 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
LPAR1 Q92633 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL19974851 0.84 POLB (0.58) ALDH1A1MAPTLMNATDP1POLB
SCHEMBL19974850 0.84 POLB (0.58) ALDH1A1MAPTLMNATDP1POLB
SCHEMBL19975414 0.84 ALDH1A1 (0.49) ALDH1A1MAPTGAAHTTLMNA
SCHEMBL19982730 0.83 ALDH1A1 (0.57) ALDH1A1MAPTGAAHTTLMNA
SCHEMBL21176364 0.81 LPAR1 (0.48) ALDH1A1GAALMNATDP1POLB
SCHEMBL19975181 0.78 ALDH1A1 (0.58) ALDH1A1MAPTGAAHTTLMNA
SCHEMBL27313789 0.77 ALDH1A1 (0.44) ALDH1A1MAPTGAALMNATDP1
SCHEMBL3073589 0.77 ALDH1A1 (0.49) ALDH1A1MAPTGAAHTTLMNA
SCHEMBL1644887 0.76 ALDH1A1 (0.50) ALDH1A1MAPTGAAHTTLMNA
SCHEMBL28315329 0.76 ALDH1A1 (0.50) ALDH1A1MAPTGAAHTTLMNA

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 8 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
CN-110062753-A Antiviral compounds 哈普洛根有限责任公司 2019-07-26 CN 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
EP-3512836-A1 ANTIVIRAL COMPOUNDS Haplogen GmbH (AT) 2019-07-24 EP disclosed
WO-2018050631-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2018-03-22 WO 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 ALDH1A1 2271/4885MAPT 4561/4885GAA 75/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C ALDH1A1 2673/4885MAPT 4673/4885GAA 107/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C ALDH1A1 2271/4885MAPT 4561/4885GAA 75/4885

“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.