SCHEMBL19974717

SCHEMBL19974717

CC/C=C/C(=O)NCc1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
TAAR1 Q96RJ0 1/20 0.52
GAA P10253 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
PADI3 Q9ULW8 1/20 0.48
PADI4 Q9UM07 1/20 0.48
PADI2 Q9Y2J8 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
APEX1 P27695 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
P2RX7 Q99572 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL19974963 0.85 ALDH1A1 (0.55) ALDH1A1TAAR1GAANPSR1MAPT
SCHEMBL19975235 0.85 GAA (0.49) ALDH1A1TAAR1GAANPSR1MAPT
SCHEMBL19975018 0.82 ALDH1A1 (0.51) ALDH1A1TAAR1GAANPSR1MAPT
SCHEMBL19975016 0.82 ALDH1A1 (0.51) ALDH1A1TAAR1GAANPSR1MAPT
SCHEMBL11743634 0.82 ALDH1A1 (0.67) ALDH1A1MAPT
SCHEMBL11743630 0.82 ALDH1A1 (0.67) ALDH1A1MAPT
SCHEMBL19974889 0.79 ALDH1A1 (0.51) ALDH1A1TAAR1GAARXFP1APEX1
SCHEMBL8765259 0.79 GAA (0.53) ALDH1A1TAAR1GAANPSR1RXFP1
SCHEMBL19975212 0.79 MMP1 (0.73) ALDH1A1GAANPSR1MAPTHTT
SCHEMBL19982715 0.79 ALDH1A1 (0.51) ALDH1A1TAAR1GAANPSR1MAPT

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 2271/4885TAAR1 3257/4885GAA 75/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C ALDH1A1 2673/4885TAAR1 3860/4885GAA 107/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C ALDH1A1 2271/4885TAAR1 3257/4885GAA 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.