SCHEMBL19974784

SCHEMBL19974784

CC(=O)NCCCOCCCCOCCCNC(=O)C(=O)C1CCC(=O)N1Cc1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2C9 P11712 1/20 0.48
POLB P06746 2/20 0.48
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.45
USP2 O75604 2/20 0.44
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
P2RX7 Q99572 2/20 0.43
MEN1 O00255 1/20 0.43
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
GFER P55789 2/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL21176306 0.93 ALDH1A1 (0.49) ALDH1A1CYP2D6CYP2C19CYP2C9POLB
SCHEMBL21176336 0.93 ALDH1A1 (0.51) ALDH1A1CYP2D6CYP2C19CYP2C9POLB
SCHEMBL21176172 0.92 ALDH1A1 (0.53) ALDH1A1CYP2D6CYP2C19CYP2C9KMT2A
SCHEMBL19975344 0.91 ALDH1A1 (0.49) ALDH1A1CYP2D6CYP2C19CYP2C9POLB
SCHEMBL19974814 0.90 ALDH1A1 (0.48) ALDH1A1CYP2D6CYP2C19CYP2C9POLB
Hydrochloric Acid SCHEMBL21176289 0.89 ALDH1A1 (0.48) ALDH1A1CYP2D6CYP2C19CYP2C9POLB
SCHEMBL21176319 0.88 ALDH1A1 (0.45) ALDH1A1CYP2D6CYP2C19CYP2C9POLB
SCHEMBL21176270 0.85 ALDH1A1 (0.53) ALDH1A1CYP2D6CYP2C19CYP2C9KMT2A
SCHEMBL19974962 0.84 ALDH1A1 (0.50) ALDH1A1CYP2D6CYP2C19CYP2C9POLB
SCHEMBL21176276 0.83 TSHR (0.50) ALDH1A1CYP2D6CYP2C19CYP2C9KMT2A

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 2271/4885CYP2D6 798/4885CYP2C19 3198/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C ALDH1A1 2673/4885CYP2D6 562/4885CYP2C19 3143/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C ALDH1A1 2271/4885CYP2D6 798/4885CYP2C19 3198/4885

“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.