SCHEMBL5563789

SCHEMBL5563789

CN(C=CN(Cc1ccccn1)Cc1ccccn1)Cc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LIN28A Q9H9Z2 1/20 0.50
KCNA5 P22460 1/20 0.42
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 3/20 0.41
TSHR P16473 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
HRH1 P35367 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 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
SCHEMBL5563786 1.00 TDP1 (0.50) TDP1MAPTSMN1; SMN2LIN28AKCNA5
SCHEMBL23111329 0.93 TDP1 (0.57) TDP1MAPTSMN1; SMN2LIN28AKCNA5
SCHEMBL18302412 0.93 TDP1 (0.57) TDP1MAPTSMN1; SMN2LIN28AKCNA5
SCHEMBL5556273 0.89 SMN1; SMN2 (0.61) TDP1MAPTSMN1; SMN2LIN28AKCNA5
SCHEMBL5556275 0.89 SMN1; SMN2 (0.61) TDP1MAPTSMN1; SMN2LIN28AKCNA5
SCHEMBL7523864 0.86 TDP1 (0.47) TDP1MAPTSMN1; SMN2LIN28AKCNA5
SCHEMBL7523860 0.86 TDP1 (0.47) TDP1MAPTSMN1; SMN2LIN28AKCNA5
SCHEMBL13960891 0.84 TDP1 (0.52) TDP1MAPTSMN1; SMN2LIN28AKCNA5
SCHEMBL6864944 0.84 SMN1; SMN2 (0.52) TDP1MAPTSMN1; SMN2LIN28AKCNA5
SCHEMBL6864956 0.84 SMN1; SMN2 (0.52) TDP1MAPTSMN1; SMN2LIN28AKCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140350256-A1 IRON AND MANGANESE COMPLEXES COMPRISING HEXADENTATE MONOCARBOXYLATO-CONTAINING LIGANDS AND THEIR USE FOR THE CATALYSIS OF OXIDATION REACTIONS UNIVERSITY OF SOUTHERN DENMARK (DK) 2014-11-27 US disclosed
EP-1341893-B1 ENZYMATIC DETERGENT COMPOSITIONS UNILEVER NV (NL) 2007-05-02 EP disclosed
EP-1109965-B1 METHOD OF TREATING A TEXTILE UNILEVER PLC (GB) 2005-06-01 EP disclosed
EP-1008645-B1 Detergent bleaching compositions UNILEVER PLC (GB) 2004-07-21 EP disclosed
EP-1433840-A1 Composition and method for bleaching a substrate UNILEVER PLC (GB) 2004-06-30 EP disclosed
EP-1001009-B1 Bleach and oxidation catalyst UNILEVER PLC (GB) 2003-09-03 EP disclosed
US-20030050211-A1 Enzymatic detergent compositions UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2003-03-13 US disclosed
US-20020137654-A1 Enzymatic detergent compositions UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2002-09-26 US disclosed
US-20020066542-A1 Transition metal complexes with polydentate ligands for enhancing the bleaching and delignifying effect of peroxo compounds DEGUSSA AG (DE) 2002-06-06 US disclosed
EP-1129170-A1 BLEACH AND OXIDATION CATALYST UNILEVER PLC (GB) 2001-09-05 EP disclosed
US-6245115-B1 N,N-BIS(PYRIDIN-2-YL-METHYL)-1,1-BIS(PYRIDIN-2-YL)-1-AMINOETHA NE COMPLEX WITH ACETONITRILE AND PERCHLORIC ACID, WHEREBY THE COMPLEX CATALYSES BLEACHING OF THE TEXTILE BY ATMOSPHERIC OXYGEN UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2001-06-12 US disclosed
US-6242409-B1 PERCHLORATE IRON COMPLEX OF ACETONITRILE AND N,N-BIS(PYRIDIN-2-YL-METHYL)-1,1-BIS(PYRIDIN-2-YL)-1-AMINOETHA NE, THE COMPLEX CATALYSING BLEACHING OF A SUBSTRATE BY THE ATMOSPHERIC OXYGEN; PEROXY BLEACH FREE. UNILEVER HOME & PERSONAL CARE USA 2001-06-05 US disclosed
US-6165963-A Detergent bleaching composition comprising pentadentate ligand derivatives UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. (US) 2000-12-26 US disclosed
US-6140294-A OXIDATION CATALYST COMPRISING AN IRON, MANGANESE OR COPPER COMPLEX INCLUDING A SPECIFIED PENTADENTATE NITROGEN-CONTAINING LIGAND UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. (US) 2000-10-31 US disclosed
EP-1008645-A1 Detergent bleaching compositions UNILEVER PLC (GB) 2000-06-14 EP disclosed
WO-2000027976-A1 BLEACH AND OXIDATION CATALYST UNILEVER PLC (GB) 2000-05-18 WO disclosed
WO-2000027975-A1 DETERGENT BLEACHING COMPOSITION UNILEVER PLC (GB) 2000-05-18 WO disclosed
EP-1001009-A1 Bleach and oxidation catalyst UNILEVER PLC (GB) 2000-05-17 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 (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-20140350256-A1 IRON AND MANGANESE COMPLEXES COMPRISING HEXADENTATE MONOCARBOXYLATO-CONTAINING LIGANDS AND THEIR USE FOR THE CATALYSIS OF OXIDATION REACTIONS ME3, SOD3, SOD1 TDP1 4330/4885MAPT 2997/4885SMN1; SMN2 3341/4885

“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.