SCHEMBL6289916

SCHEMBL6289916

CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc2c3c(Br)cc(C(=O)O)c4c(C(=O)O)ccc(c5c(Br)cc(C(=O)Nc6c(C(C)C)cccc6C(C)C)c1c25)c43

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ RIPK1 Q13546 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ LPAR1 Q92633 1/20 0.37
▸ ACE2 Q9BYF1 1/20 0.36
▸ NLRP3 Q96P20 2/20 0.36
▸ S1PR4 O95977 1/20 0.35
▸ S1PR5 Q9H228 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ SORT1 Q99523 2/20 0.35
▸ SOAT2 O75908 1/20 0.35
▸ SOAT1 P35610 1/20 0.35
▸ KCNK3 O14649 1/20 0.35
▸ KCNK9 Q9NPC2 1/20 0.35
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL3262253 0.88 KMT2A (0.42) KMT2ALMNARIPK1SMN1; SMN2LPAR1
SCHEMBL7168499 0.84 KMT2A (0.56) KMT2ALMNARIPK1SMN1; SMN2LPAR1
SCHEMBL29824483 0.84 KMT2A (0.56) KMT2ALMNARIPK1SMN1; SMN2LPAR1
SCHEMBL1566952 0.84 KMT2A (0.48) KMT2ALMNARIPK1SMN1; SMN2LPAR1
SCHEMBL1566662 0.84 KMT2A (0.48) KMT2ALMNARIPK1SMN1; SMN2LPAR1
SCHEMBL2122808 0.82 KMT2A (0.43) KMT2ALMNARIPK1SMN1; SMN2LPAR1
SCHEMBL1568158 0.81 KMT2A (0.50) KMT2ALMNARIPK1SMN1; SMN2NLRP3
SCHEMBL3788599 0.77 LMNA (0.54) KMT2ALMNARIPK1SMN1; SMN2LPAR1
SCHEMBL11061926 0.77 KMT2A (0.45) KMT2ALMNARIPK1SMN1; SMN2LPAR1
SCHEMBL6597515 0.77 POLB (0.56) KMT2ALMNARIPK1SMN1; SMN2NLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346768-B2 Molecular glasses with functionalizable groups HER MAJESTY THE QUEEN IN RIGHT OF CANADA AS REPRESENTED BY THE MINISTER OF NATIONAL DEFENSE (CA) 2016-05-24 — — US disclosed
US-9328076-B2 Molecular glasses with functionalizable groups HER MAJESTY IN THE RIGHT OF CANADA AS REPRESENTED BY THE MINISTER OF DEFENSE (CA) 2016-05-03 — — US disclosed
US-20150232433-A1 Molecular Glasses With Functionalizable Groups HER MAJESTY THE QUEEN IN RIGHT OF CANADA AS REPRESENTED BY THE MINISTER OF NATIONAL DEFENCE (CA) 2015-08-20 — — US disclosed
US-20140005370-A1 MOLECULAR GLASSES WITH FUNCTIONALIZABLE GROUPS HER MAJESTY THE QUEEN IN RIGHT OF CANADA AS REPRESENTED BY THE MINISTER OF NATIONAL DEFENCE (CA) 2014-01-02 — — US disclosed
US-6916928-B2 Functionalized perylene tetracarboxylic acid diimides MAX-PLANCK-GESELLSCHAFT DER WISSENSCHAFTENE.V. (DE) 2005-07-12 — — US disclosed
US-20040024151-A1 Functionalized perylene tetracarboxylic acid diimides MAX-PLANCK-GESELLSCHAFT DER WISSENSCHAFTENE. V. (DE) 2004-02-05 — — 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 (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-20140005370-A1 MOLECULAR GLASSES WITH FUNCTIONALIZABLE GROUPS GNG2, GDI1, F12 KMT2A 3635/4885LMNA 3537/4885RIPK1 3467/4885
US-20150232433-A1 Molecular Glasses With Functionalizable Groups GDI1, GNG2, F12 KMT2A 3732/4885LMNA 3433/4885RIPK1 3620/4885

“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.

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