SCHEMBL1011420

SCHEMBL1011420

O=C(O)CC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.70
LMNA P02545 2/20 0.70
MEN1 O00255 2/20 0.70
POLB P06746 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
GRM8 O00222 1/20 0.49
GRM7 Q14831 1/20 0.49
GRM4 Q14833 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
BRAF P15056 1/20 0.47
KDR P35968 1/20 0.47
MAPK14 Q16539 1/20 0.47
TNNI3K Q59H18 1/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
GAA P10253 2/20 0.44
ALDH1A1 P00352 2/20 0.44
EPHX2 P34913 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
SCHEMBL11411503 0.89 KMT2A (0.73) KMT2ALMNAMEN1POLBSMN1; SMN2
SCHEMBL2535702 0.81 GRM4 (0.76) KMT2ALMNAMEN1POLBSMN1; SMN2
SCHEMBL11138902 0.81 KMT2A (0.69) KMT2ALMNAMEN1POLBSMN1; SMN2
SCHEMBL8413439 0.80 PPARD (0.58) KMT2ALMNAMEN1POLBSMN1; SMN2
SCHEMBL14227559 0.80 KMT2A (0.65) KMT2ALMNAMEN1POLBSMN1; SMN2
SCHEMBL14227557 0.79 STK39 (0.67) KMT2ALMNAMEN1POLBSMN1; SMN2
SCHEMBL9628562 0.78 KMT2A (0.66) KMT2ALMNAMEN1POLBSMN1; SMN2
SCHEMBL11306168 0.77 LMNA (0.57) KMT2ALMNAMEN1POLBSMN1; SMN2
SCHEMBL14227560 0.77 KMT2A (0.59) KMT2ALMNAMEN1POLBSMN1; SMN2
SCHEMBL10931328 0.77 KMT2A (0.66) KMT2ALMNAMEN1POLBSMN1; SMN2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11285165-B2 Selective high-affinity polydentate ligands and methods of making such LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2022-03-29 US claimed
US-20210000843-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2021-01-07 US claimed
US-10646502-B2 Selective high-affinity polydentate ligands and methods of making such LAWRENCE LIVERMORE NATIONAL SECURITY (US) 2020-05-12 US claimed
US-20190262364-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2019-08-29 US claimed
US-10292992-B2 Selective high-affinity polydentate ligands and methods of making such LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2019-05-21 US claimed
US-9884070-B2 Selective high-affinity polydentate ligands and methods of making such LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2018-02-06 US claimed
US-20180008621-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2018-01-11 US claimed
US-20180008622-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2018-01-11 US claimed
EP-2268654-B1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH UNIV CALIFORNIA (US) 2017-01-25 EP claimed
US-20110144065-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH U.S. DEPARTMENT OF ENERGY 2011-06-16 US claimed
EP-2268654-A2 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH The Regents of the University of California (US) 2011-01-05 EP claimed
WO-2009132020-A2 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-10-29 WO claimed
US-11285165-B2 Selective high-affinity polydentate ligands and methods of making such LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2022-03-29 US disclosed
US-20210000843-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2021-01-07 US disclosed
US-10874678-B2 Selective high-affinity polydentate ligands and methods of making such LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2020-12-29 US disclosed
US-10646502-B2 Selective high-affinity polydentate ligands and methods of making such LAWRENCE LIVERMORE NATIONAL SECURITY (US) 2020-05-12 US disclosed
US-9884070-B2 Selective high-affinity polydentate ligands and methods of making such LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2018-02-06 US disclosed
US-20180008621-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2018-01-11 US disclosed
US-20180008622-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2018-01-11 US disclosed
EP-2268654-B1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH UNIV CALIFORNIA (US) 2017-01-25 EP 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 (9 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-10646502-B2 Selective high-affinity polydentate ligands and methods of making such CD44, FCGR3B, FCGR2A KMT2A 3857/4885LMNA 3558/4885MEN1 1828/4885
US-11285165-B2 Selective high-affinity polydentate ligands and methods of making such CD44, FCGR3B, FCGR2A KMT2A 3857/4885LMNA 3558/4885MEN1 1828/4885
US-20110144065-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH CD44, FCGR3B, FCGR2A KMT2A 3857/4885LMNA 3558/4885MEN1 1828/4885
US-20180008621-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH CD44, FCGR3B, FCGR2A KMT2A 3857/4885LMNA 3558/4885MEN1 1828/4885
US-20180008622-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH CD44, FCGR3B, FCGR2A KMT2A 3857/4885LMNA 3558/4885MEN1 1828/4885
US-20190262364-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH CD44, FCGR3B, FCGR2A KMT2A 3857/4885LMNA 3558/4885MEN1 1828/4885
US-10874678-B2 Selective high-affinity polydentate ligands and methods of making such CD44, FCGR3B, FCGR2A KMT2A 3857/4885LMNA 3558/4885MEN1 1828/4885
US-20210000843-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH CD44, FCGR3B, FCGR2A KMT2A 3857/4885LMNA 3558/4885MEN1 1828/4885
US-10292992-B2 Selective high-affinity polydentate ligands and methods of making such CD44, FCGR3B, FCGR2A KMT2A 3857/4885LMNA 3558/4885MEN1 1828/4885

“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.