SCHEMBL19974944

SCHEMBL19974944

Cc1cccc(CN2C(=O)CCC2C(=O)C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
CYP3A4 P08684 2/20 0.49
RECQL P46063 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
GAA P10253 1/20 0.47
GFER P55789 1/20 0.47
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
P2RX7 Q99572 2/20 0.45
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45
HTT P42858 1/20 0.44
GYS1 P13807 1/20 0.44
MEN1 O00255 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
SCHEMBL2447839 0.90 GYS1 (0.52) KMT2AALDH1A1KDM4ECYP3A4RECQL
SCHEMBL30061888 0.90 GYS1 (0.52) KMT2AALDH1A1KDM4ECYP3A4RECQL
SCHEMBL2447836 0.90 GYS1 (0.52) KMT2AALDH1A1KDM4ECYP3A4RECQL
SCHEMBL19975186 0.85 P2RX7 (0.54) KMT2AALDH1A1CYP3A4GAACYP2C9
SCHEMBL19974905 0.85 P2RX7 (0.54) KMT2AALDH1A1CYP3A4GAACYP2C9
SCHEMBL19975137 0.85 P2RX7 (0.54) KMT2AALDH1A1CYP3A4GAACYP2C9
SCHEMBL19974972 0.85 P2RX7 (0.56) KMT2AALDH1A1CYP3A4GAACYP2C9
SCHEMBL10674794 0.85 KMT2A (0.55) KMT2AALDH1A1CYP3A4GAAGFER
SCHEMBL21183573 0.85 KMT2A (0.47) KMT2AALDH1A1KDM4ECYP3A4RECQL
SCHEMBL19975021 0.84 KMT2A (0.67) KMT2AALDH1A1KDM4ECYP3A4GAA

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 4031/4885ALDH1A1 2271/4885KDM4E 3330/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C KMT2A 4177/4885ALDH1A1 2673/4885KDM4E 3784/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C KMT2A 4031/4885ALDH1A1 2271/4885KDM4E 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.