SCHEMBL19975021

SCHEMBL19975021

Cc1ccc(CN2C(=O)CCC2C(=O)C(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.67
GAA P10253 3/20 0.60
ALDH1A1 P00352 3/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MAPT P10636 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 1/20 0.50
USP2 O75604 1/20 0.48
GFER P55789 1/20 0.48
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL12470926 0.89 KMT2A (0.70) KMT2AGAAALDH1A1CYP3A4CYP2C9
SCHEMBL16601242 0.89 KMT2A (0.70) KMT2AGAAALDH1A1CYP3A4CYP2C9
SCHEMBL19975238 0.87 ALDH1A1 (0.54) KMT2AGAAALDH1A1MAPTHTT
SCHEMBL19974867 0.87 ALDH1A1 (0.54) KMT2AGAAALDH1A1MAPTHTT
SCHEMBL19975186 0.87 P2RX7 (0.54) KMT2AGAAALDH1A1CYP3A4CYP2C9
SCHEMBL19974905 0.87 P2RX7 (0.54) KMT2AGAAALDH1A1CYP3A4CYP2C9
SCHEMBL19975137 0.87 P2RX7 (0.54) KMT2AGAAALDH1A1CYP3A4CYP2C9
SCHEMBL21183520 0.86 GAA (0.56) KMT2AGAAALDH1A1CYP3A4CYP2C9
SCHEMBL19974944 0.84 KMT2A (0.49) KMT2AGAAALDH1A1CYP3A4CYP2C9
SCHEMBL19975541 0.84 CYP2C9 (0.50) KMT2AGAAALDH1A1CYP2C9CYP2C19

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

“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.