SCHEMBL21176163

SCHEMBL21176163

CCNC(=O)C(=O)[C@H]1CCC(=O)N1Cc1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.54
ALDH1A1 P00352 4/20 0.53
GAA P10253 1/20 0.52
P2RX7 Q99572 10/20 0.49
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
PLAAT3 P53816 1/20 0.45
PLAAT5 Q96KN8 1/20 0.45
PLAAT2 Q9NWW9 1/20 0.45
PLAAT4 Q9UL19 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
SCHEMBL21183557 0.89 P2RX7 (0.53) KMT2AALDH1A1GAAP2RX7CYP3A4
SCHEMBL21176332 0.88 KMT2A (0.53) KMT2AALDH1A1GAAP2RX7KDM4E
SCHEMBL21176172 0.87 ALDH1A1 (0.53) KMT2AALDH1A1GAAP2RX7KDM4E
SCHEMBL21176164 0.87 ALDH1A1 (0.55) KMT2AALDH1A1GAAP2RX7KDM4E
SCHEMBL21176291 0.87 ALDH1A1 (0.53) KMT2AALDH1A1GAAP2RX7KDM4E
SCHEMBL21176363 0.86 ALDH1A1 (0.50) KMT2AALDH1A1GAAP2RX7KDM4E
SCHEMBL21176366 0.86 ALDH1A1 (0.50) KMT2AALDH1A1GAAP2RX7KDM4E
SCHEMBL19975375 0.86 ALDH1A1 (0.50) KMT2AALDH1A1GAAP2RX7KDM4E
SCHEMBL21176270 0.85 ALDH1A1 (0.53) KMT2AALDH1A1GAAP2RX7KDM4E
SCHEMBL21176336 0.84 ALDH1A1 (0.51) KMT2AALDH1A1GAAP2RX7KDM4E

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-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

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 KMT2A 4031/4885ALDH1A1 2271/4885GAA 75/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C KMT2A 4177/4885ALDH1A1 2673/4885GAA 107/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C KMT2A 4031/4885ALDH1A1 2271/4885GAA 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.