SCHEMBL4423942

SCHEMBL4423942

Nc1ccc2ccccc2c1-c1c(Br)ccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 3/20 0.45
TSHR P16473 2/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
KEAP1 Q14145 1/20 0.45
HPRT1 P00492 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP2A6 P11509 1/20 0.42
DNMT1 P26358 1/20 0.40
APAF1 O14727 1/20 0.38
TDP2 O95551 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38

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
SCHEMBL455943 0.87 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL29418178 0.87 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL30361992 0.87 ALDH1A1 (0.55) ALDH1A1MAPTPOLBHSD17B10TSHR
SCHEMBL1239327 0.87 ALDH1A1 (0.55) ALDH1A1MAPTPOLBHSD17B10TSHR
SCHEMBL31633516 0.85 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2AHSD17B10
Hydrochloric Acid SCHEMBL31439257 0.85 ALDH1A1 (0.54) ALDH1A1MAPTHSD17B10TSHRCYP3A4
SCHEMBL31633515 0.85 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL18907361 0.83 DNMT1 (0.44) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL28636053 0.82 ALDH1A1 (0.45) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL13839779 0.80 TSHR (0.52) ALDH1A1MAPTPOLBL3MBTL1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7560582-B2 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-07-14 US disclosed
US-7560582-B2 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-07-14 US disclosed
US-7560582-B2 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-07-14 US disclosed
EP-1581467-A4 LIGANDS FOR METALS AND IMPROVED METAL-CATALYZED PROCESSES BASED THEREON MASSACHUSETTS INST TECHNOLOGY (US) 2008-08-13 EP disclosed
US-20080033171-A1 Ligands for Metals and Improved Metal-Catalyzed Processes Based Thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-02-07 US disclosed
US-20080033171-A1 Ligands for Metals and Improved Metal-Catalyzed Processes Based Thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-02-07 US disclosed
US-6946560-B2 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-09-20 US 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
US-20040010149-A1 Ligands for metals and improved metal-catalyzed processes based thereon NATIONAL SCIENCE FOUNDATION 2004-01-15 US disclosed
EP-1354887-A1 Ligands for metals and improved metal-catalyzed processes based thereon Massachusetts Insitute of Technology (US) 2003-10-22 EP disclosed
US-20020156295-A1 Ligands for metals and improved metal-catalyzed processes based thereon NATIONAL SCIENCE FOUNDATION 2002-10-24 US disclosed
US-6395916-B1 AMINE, PHOSPHINE LIGANDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2002-05-28 US disclosed
US-6307087-B1 USE OF CATALYSTS COMPRISING THESE LIGANDS IN TRANSITION METAL-CATALYZED CARBON-HETEROATOM AND CARBON-CARBON BOND-FORMING REACTIONS. MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2001-10-23 US disclosed
EP-1097158-A2 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2001-05-09 EP disclosed
WO-2000002887-A2 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2000-01-20 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 (4 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-20040010149-A1 Ligands for metals and improved metal-catalyzed processes based thereon THEM6, SOD1, SLC30A6 ALDH1A1 2074/4885MAPT 2210/4885MEN1 1595/4885
US-20080033171-A1 Ligands for Metals and Improved Metal-Catalyzed Processes Based Thereon THEM6, SOD1, SLC30A6 ALDH1A1 2074/4885MAPT 2210/4885MEN1 1595/4885
US-20040171833-A1 Ligands for metals and improved metal-catalyzed processes based thereon THEM6, SLC30A6, SOD1 ALDH1A1 1766/4885MAPT 2351/4885MEN1 1463/4885
US-20020156295-A1 Ligands for metals and improved metal-catalyzed processes based thereon THEM6, SOD1, SLC30A6 ALDH1A1 2074/4885MAPT 2210/4885MEN1 1595/4885

“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.