SCHEMBL112199

SCHEMBL112199

C#CCNCc1ccc(O)c2ncccc12

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.80
MAOB P27338 4/20 0.80
ALOX15 P16050 3/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2D6 P10635 1/20 0.65
HIF1A Q16665 1/20 0.65
KDM4E B2RXH2 10/20 0.62
ACHE P22303 1/20 0.61
BACE1 P56817 1/20 0.61
LMNA P02545 6/20 0.59
L3MBTL1 Q9Y468 6/20 0.59
KMT2A Q03164 6/20 0.59
ALOX12 P18054 5/20 0.59
ALDH1A1 P00352 5/20 0.59
HTT P42858 4/20 0.59
MAPT P10636 4/20 0.59
USP2 O75604 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
TP53 P04637 1/20 0.59
NPC1 O15118 2/20 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
SCHEMBL2522668 0.81 ALOX15 (0.70) ALOX15CYP1A2CYP2D6HIF1AKDM4E
SCHEMBL2518549 0.81 ALOX15 (0.89) ALOX15CYP1A2CYP2D6HIF1AKDM4E
SCHEMBL15217627 0.81 KDM4E (0.68) ALOX15CYP1A2CYP2D6HIF1AKDM4E
SCHEMBL2514842 0.79 ALOX15 (1.00) ALOX15CYP1A2CYP2D6HIF1AKDM4E
SCHEMBL5327074 0.79 KDM4E (0.67) ALOX15CYP1A2CYP2D6HIF1AKDM4E
SCHEMBL2521725 0.78 ALOX15 (0.78) ALOX15CYP1A2CYP2D6HIF1AKDM4E
Hydrochloric Acid SCHEMBL2516502 0.78 ALOX15 (0.97) ALOX15CYP1A2CYP2D6HIF1AKDM4E
Hydrochloric Acid SCHEMBL2519843 0.77 ALOX15 (0.76) ALOX15CYP1A2CYP2D6HIF1AKDM4E
SCHEMBL113766 0.76 MAOA (0.53) MAOAMAOBALOX15CYP1A2CYP2D6
SCHEMBL112261 0.76 MAOA (0.53) MAOAMAOBALOX15CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9034877-B2 Bifunctional/polyfunctional dopamine D2/D3 agonist as neuroprotective agents for treatment of neurodegenerative diseases WAYNE STATE UNIVERSITY (US) 2015-05-19 US disclosed
US-20120108815-A1 BIFUNCTIONAL/POLYFUNCTIONAL DOPAMINE D2/D3 AGONIST AS NEUROPROTECTIVE AGENTS FOR TREATMENT OF NEURODEGENERATIVE DISEASES WAYNE STATE UNIVERSITY (US) 2012-05-03 US disclosed
US-20120058945-A1 NEUROPROTECTIVE IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2012-03-08 US disclosed
US-20120058945-A1 NEUROPROTECTIVE IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2012-03-08 US disclosed
US-20120058945-A1 NEUROPROTECTIVE IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2012-03-08 US disclosed
US-8058442-B2 Neuroprotective iron chelators and pharmaceutical compositions comprising them TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2011-11-15 US disclosed
US-8058442-B2 Neuroprotective iron chelators and pharmaceutical compositions comprising them TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2011-11-15 US disclosed
US-8058442-B2 Neuroprotective iron chelators and pharmaceutical compositions comprising them TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2011-11-15 US disclosed
WO-2010123995-A1 BIFUNCTIONAL/POLYFUNCTIONAL DOPAMINE D2/D3 AGONIST AS NEUROPROTECTIVE AGENTS FOR TREATMENT OF NEURODEGENERATIVE DISEASES WAYNE STATE UNIVERSITY (US) 2010-10-28 WO disclosed
US-20060234927-A1 Neuroprotective iron chelators and pharmaceutical compositions comprising them TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2006-10-19 US disclosed
EP-1565185-A2 NEUROPROTECTIVE IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2005-08-24 EP disclosed
WO-2004041151-A2 NEUROPROTECTIVE IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2004-05-21 WO disclosed
WO-2004041151-A2 NEUROPROTECTIVE IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2004-05-21 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 (3 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-20120058945-A1 NEUROPROTECTIVE IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FECH, HMOX1, FTH1 MAOA 1054/4885MAOB 1687/4885ALOX15 591/4885
US-20060234927-A1 Neuroprotective iron chelators and pharmaceutical compositions comprising them FECH, HMOX1, FTH1 MAOA 779/4885MAOB 1223/4885ALOX15 506/4885
US-20120108815-A1 BIFUNCTIONAL/POLYFUNCTIONAL DOPAMINE D2/D3 AGONIST AS NEUROPROTECTIVE AGENTS FOR TREATMENT OF NEURODEGENERATIVE DISEASES DRD3, DRD2, SLC6A3 MAOA 28/4885MAOB 33/4885ALOX15 2251/4885

“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.