SCHEMBL19782935

SCHEMBL19782935

COCOc1ccc(C(=O)CC(=O)c2cccnc2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
ALDH1A1 P00352 7/20 0.52
LMNA P02545 1/20 0.52
USP2 O75604 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PLOD2 O00469 1/20 0.51
MAPK1 P28482 3/20 0.50
GAA P10253 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP1A1 P04798 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP1B1 Q16678 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CTNNB1 P35222 1/20 0.46
WNT3A P56704 1/20 0.46

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
SCHEMBL19782695 0.85 CTNNB1 (0.52) KMT2AMEN1ALDH1A1L3MBTL1PLOD2
SCHEMBL15968855 0.82 MEN1 (0.72) KMT2AMEN1ALDH1A1LMNAUSP2
SCHEMBL3450804 0.81 MAPK1 (0.55) KMT2AMEN1ALDH1A1LMNAUSP2
SCHEMBL19782934 0.81 MEN1 (0.52) KMT2AMEN1ALDH1A1LMNAUSP2
SCHEMBL10841330 0.75 ALDH1A1 (0.64) KMT2AMEN1ALDH1A1LMNAUSP2
SCHEMBL8785393 0.75 CYP1A2 (0.67) KMT2AMEN1ALDH1A1LMNAUSP2
SCHEMBL15395616 0.75 PLOD2 (0.69) KMT2AALDH1A1LMNAUSP2PLOD2
SCHEMBL18456830 0.75 MAPT (0.64) KMT2AMEN1ALDH1A1LMNANPSR1
SCHEMBL1659363 0.74 MAPT (0.71) KMT2AMEN1ALDH1A1MAPK1GAA
SCHEMBL10320930 0.74 PLOD2 (0.89) KMT2AMEN1ALDH1A1LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046657-B2 Pyrimidinone derivatives and uses thereof to neutralize the biological activity of chemokines CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-06-29 US disclosed
US-20200181093-A1 Pyrimidinone Derivatives and Uses Thereof to Neutralize the Biological Activity of Chemokines CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS (FR) 2020-06-11 US disclosed
WO-2018011376-A1 PYRIMIDINONE DERIVATIVES AND USES THEREOF TO NEUTRALIZE THE BIOLOGICAL ACTIVITY OF CHEMOKINES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS - (FR) 2018-01-18 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-20200181093-A1 Pyrimidinone Derivatives and Uses Thereof to Neutralize the Biological Activity of Chemokines CCL5, CXCR3, CXCL10 KMT2A 4043/4885MEN1 1210/4885ALDH1A1 1436/4885
US-11046657-B2 Pyrimidinone derivatives and uses thereof to neutralize the biological activity of chemokines CCL5, CXCR3, CXCL10 KMT2A 4043/4885MEN1 1210/4885ALDH1A1 1436/4885

“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.