SCHEMBL19974962

SCHEMBL19974962

O=C(O)NCCOCCOCCNC(=O)C(=O)C1CCC(=O)N1Cc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KMT2A Q03164 2/20 0.47
P2RX7 Q99572 5/20 0.46
GAA P10253 1/20 0.46
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
USP2 O75604 1/20 0.42
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP3A4 P08684 1/20 0.41
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL19975344 0.93 ALDH1A1 (0.49) ALDH1A1KMT2AP2RX7GAAKDM4E
SCHEMBL21183513 0.91 ALDH1A1 (0.49) ALDH1A1KMT2AP2RX7GAAKDM4E
SCHEMBL21176306 0.91 ALDH1A1 (0.49) ALDH1A1KMT2AP2RX7GAAKDM4E
Hydrochloric Acid SCHEMBL21176178 0.90 ALDH1A1 (0.48) ALDH1A1KMT2AP2RX7GAAKDM4E
SCHEMBL19974723 0.89 ALDH1A1 (0.52) ALDH1A1KMT2AP2RX7GAAKDM4E
SCHEMBL21176242 0.86 ALDH1A1 (0.46) ALDH1A1KMT2AP2RX7GAAKDM4E
SCHEMBL21176164 0.85 ALDH1A1 (0.55) ALDH1A1KMT2AP2RX7GAAKDM4E
SCHEMBL19974784 0.84 ALDH1A1 (0.48) ALDH1A1KMT2AP2RX7GAAKDM4E
SCHEMBL19974814 0.84 ALDH1A1 (0.48) ALDH1A1KMT2AP2RX7GAAKDM4E
SCHEMBL19974758 0.83 P2RX7 (0.52) ALDH1A1KMT2AP2RX7GAAUSP2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (2 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 2271/4885KMT2A 4031/4885P2RX7 339/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C ALDH1A1 2271/4885KMT2A 4031/4885P2RX7 339/4885

“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.