SCHEMBL4647437

SCHEMBL4647437

CC(=O)Nc1ccc(Nc2ccc(C)cc2)cc1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.87
MAPT P10636 3/20 0.70
POLB P06746 2/20 0.70
PKM P14618 2/20 0.67
SMN1; SMN2 Q16637 3/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
HTT P42858 1/20 0.61
CA12 O43570 2/20 0.59
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
CA9 Q16790 2/20 0.59
KMT2A Q03164 5/20 0.59
MEN1 O00255 4/20 0.59
ALDH1A1 P00352 3/20 0.59
BRD4 O60885 1/20 0.59
NR1I2 O75469 1/20 0.59
MB P02144 1/20 0.59
CYP1A1 P04798 1/20 0.59
CA3 P07451 1/20 0.59
CYP3A4 P08684 1/20 0.59

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
SCHEMBL61417 0.93 TDP1 (1.00) TDP1MAPTPOLBPKMSMN1; SMN2
SCHEMBL11158565 0.91 MAPT (0.83) TDP1MAPTPOLBSMN1; SMN2L3MBTL1
SCHEMBL11244788 0.87 TDP1 (0.87) TDP1MAPTPOLBPKMSMN1; SMN2
SCHEMBL25495160 0.87 POLB (0.73) TDP1MAPTPOLBPKMSMN1; SMN2
SCHEMBL11806928 0.85 HSD17B10 (0.66) TDP1MAPTPOLBPKMSMN1; SMN2
SCHEMBL861674 0.83 SMN1; SMN2 (0.84) TDP1MAPTPOLBSMN1; SMN2L3MBTL1
SCHEMBL9480198 0.83 MAPT (1.00) MAPTPOLBSMN1; SMN2L3MBTL1HTT
SCHEMBL22930929 0.83 KMT2A (0.87) TDP1MAPTPOLBSMN1; SMN2L3MBTL1
SCHEMBL9479532 0.83 MAPT (1.00) MAPTPOLBSMN1; SMN2L3MBTL1HTT
SCHEMBL19427114 0.83 MAPT (1.00) MAPTPOLBSMN1; SMN2L3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581467-B1 LIGANDS FOR METALS AND IMPROVED METAL-CATALYZED PROCESSES BASED THEREON MASSACHUSETTS INST TECHNOLOGY (US) 2016-10-12 EP disclosed
EP-1581467-B1 LIGANDS FOR METALS AND IMPROVED METAL-CATALYZED PROCESSES BASED THEREON MASSACHUSETTS INST TECHNOLOGY (US) 2016-10-12 EP disclosed
EP-2583958-B1 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INST TECHNOLOGY (US) 2016-08-10 EP disclosed
EP-2583958-B1 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INST TECHNOLOGY (US) 2016-08-10 EP disclosed
EP-2583958-A1 Ligands for metals and improved metal-catalyzed processes based thereon Massachusetts Institute of Technology (MIT) (US) 2013-04-24 EP disclosed
EP-2583958-A1 Ligands for metals and improved metal-catalyzed processes based thereon Massachusetts Institute of Technology (MIT) (US) 2013-04-24 EP disclosed
EP-1581467-A4 LIGANDS FOR METALS AND IMPROVED METAL-CATALYZED PROCESSES BASED THEREON MASSACHUSETTS INST TECHNOLOGY (US) 2008-08-13 EP disclosed
US-7223879-B2 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-05-29 US disclosed
US-7223879-B2 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-05-29 US disclosed
US-7223879-B2 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-05-29 US disclosed
CN-1745049-A Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INST TECHNOLOGY (US) 2006-03-08 CN disclosed
EP-1581467-A2 LIGANDS FOR METALS AND IMPROVED METAL-CATALYZED PROCESSES BASED THEREON MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-10-05 EP disclosed
US-20040171833-A1 Ligands for metals and improved metal-catalyzed processes based thereon NATIONAL SCIENCE FOUNDATION 2004-09-02 US disclosed
WO-2004052939-A2 LIGANDS FOR METALS AND IMPROVED METAL-CATALYZED PROCESSES BASED THEREON MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2004-06-24 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 (1 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-20040171833-A1 Ligands for metals and improved metal-catalyzed processes based thereon THEM6, SLC30A6, SOD1 TDP1 4185/4885MAPT 2351/4885POLB 2411/4885

“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.