SCHEMBL21176346

SCHEMBL21176346

COc1ccccc1N(C=O)C(C)C(=O)C(=O)NCc1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
LMNA P02545 3/20 0.53
KDM4E B2RXH2 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
HTT P42858 2/20 0.51
GAA P10253 2/20 0.50
PKM P14618 1/20 0.50
RECQL P46063 2/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48
USP2 O75604 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
THRB P10828 2/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL19974685 0.89 POLB (0.51) ALDH1A1LMNAPOLBSMN1; SMN2CYP3A4
SCHEMBL19975219 0.89 LMNA (0.47) ALDH1A1LMNAKDM4EL3MBTL1GAA
SCHEMBL19974837 0.85 HPGD (0.43) ALDH1A1LMNAKDM4EGAAPOLB
SCHEMBL19974712 0.84 CARM1 (0.45) ALDH1A1LMNAKDM4EMAPT
SCHEMBL19974858 0.83 ALDH1A1 (0.48) ALDH1A1LMNAKDM4EL3MBTL1HTT
SCHEMBL21183556 0.83 ADORA2A (0.43) ALDH1A1LMNAKDM4EHTTGAA
SCHEMBL19975281 0.83 ALDH1A1 (0.45) ALDH1A1LMNAKDM4EGAAPOLB
SCHEMBL28315333 0.83 CAPN1 (0.39) ALDH1A1LMNAKDM4EGAAHPGD
SCHEMBL21183519 0.82 CTSD (0.43) ALDH1A1LMNAKDM4EL3MBTL1HTT
SCHEMBL19975540 0.82 CTSD (0.43) ALDH1A1LMNAKDM4EL3MBTL1HTT

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 5 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-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

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 2271/4885LMNA 1909/4885KDM4E 3330/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C ALDH1A1 2271/4885LMNA 1909/4885KDM4E 3330/4885

“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.