SCHEMBL19975414

SCHEMBL19975414

COc1ccccc1NC(C)C(O)C(=O)NC(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
POLB P06746 2/20 0.48
ANPEP P15144 1/20 0.47
LPAR1 Q92633 1/20 0.47
GAA P10253 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PKM P14618 2/20 0.44
MAPT P10636 3/20 0.43
HTT P42858 1/20 0.43
MAPK1 P28482 1/20 0.43
NPC1 O15118 1/20 0.43

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 0.88 POLB (0.58) ALDH1A1LMNATDP1POLBLPAR1
SCHEMBL19974850 0.88 POLB (0.58) ALDH1A1LMNATDP1POLBLPAR1
SCHEMBL21176364 0.86 LPAR1 (0.48) ALDH1A1LMNATDP1POLBANPEP
SCHEMBL19974855 0.84 ALDH1A1 (0.50) ALDH1A1LMNATDP1POLBLPAR1
SCHEMBL19449467 0.78 ANPEP (0.66) ALDH1A1POLBANPEPLPAR1GAA
SCHEMBL19974950 0.78 KMT2A (0.51) ALDH1A1LMNAPOLBANPEPLPAR1
SCHEMBL19975189 0.78 HPGD (0.58) ALDH1A1LMNATDP1GAAL3MBTL1
Benzene SCHEMBL11580795 0.77 ANPEP (0.64) ALDH1A1LMNAPOLBANPEPLPAR1
SCHEMBL19974969 0.76 MAPT (0.51) ALDH1A1LMNAGAACYP3A4L3MBTL1
SCHEMBL3073589 0.76 ALDH1A1 (0.49) ALDH1A1LMNATDP1POLBLPAR1

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 7 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
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 2271/4885LMNA 1909/4885TDP1 1016/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C ALDH1A1 2673/4885LMNA 2058/4885TDP1 911/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C ALDH1A1 2271/4885LMNA 1909/4885TDP1 1016/4885

“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.