SCHEMBL996544

SCHEMBL996544

CN(CCN(C)Cc1ccccn1)Cc1ccccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.64
MAPT P10636 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
LIN28A Q9H9Z2 1/20 0.64
KDM4E B2RXH2 4/20 0.58
TSHR P16473 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
POLB P06746 1/20 0.58
CYP2D6 P10635 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
RECQL P46063 1/20 0.54
ATM Q13315 1/20 0.53
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
KCNA5 P22460 1/20 0.49
HSD17B10 Q99714 1/20 0.48
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL14338848 0.93 KDM4E (0.56) TDP1MAPTSMN1; SMN2LIN28AKDM4E
SCHEMBL3626637 0.93 TDP1 (0.79) TDP1MAPTSMN1; SMN2LIN28AKDM4E
SCHEMBL6051881 0.92 TDP1 (0.60) TDP1MAPTSMN1; SMN2LIN28AKDM4E
SCHEMBL804182 0.91 TDP1 (0.63) TDP1MAPTSMN1; SMN2LIN28AKDM4E
SCHEMBL13749778 0.90 TDP1 (0.58) TDP1MAPTSMN1; SMN2LIN28AKDM4E
SCHEMBL7035522 0.90 KDM4E (0.71) TDP1MAPTSMN1; SMN2LIN28AKDM4E
Hydrochloric Acid SCHEMBL28308406 0.89 TDP1 (0.61) TDP1MAPTSMN1; SMN2LIN28AKDM4E
SCHEMBL27630924 0.89 TDP1 (0.56) TDP1MAPTSMN1; SMN2LIN28AKDM4E
SCHEMBL6979275 0.89 HSD17B10 (0.57) TDP1MAPTSMN1; SMN2LIN28AKDM4E
SCHEMBL15780036 0.89 TDP1 (0.56) TDP1MAPTSMN1; SMN2LIN28AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025132825-A1 1H-IMIDAZO[4,5-C]QUINOLINE METAL-BASED COMPLEXES USEFUL AS MEDICAMENTS FUNDACIÓN DONOSTIA INTERNATIONAL PHYSICS CENTER - DIPC (ES) 2025-06-26 WO claimed
CN-115385873-B Continuous synthesis method of perfluoro-2, 3-epoxy-2-methylpentane 山东华夏神舟新材料有限公司 2023-01-03 CN claimed
CN-115385873-A Continuous synthesis method of perfluoro-2, 3-epoxy-2-methylpentane 山东华夏神舟新材料有限公司 2022-11-25 CN claimed
EP-3307940-B1 OXIDATIVE METHOD CATEXEL TECH LIMITED (GB) 2021-03-24 EP claimed
EP-3307941-B1 OXIDATIVE METHOD CATEXEL TECH LIMITED (GB) 2021-03-24 EP claimed
US-10882745-B2 Oxidative method CATEXEL TECHNOLOGIES LIMITED (GB) 2021-01-05 US claimed
US-10815616-B2 Oxidative method CATEXEL TECHNOLOGIES LIMITED (GB) 2020-10-27 US claimed
US-20180362432-A1 ISOTOPIC FLUORINATION AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2018-12-20 US claimed
US-20180186634-A1 OXIDATIVE METHOD CATEXEL B.V. (NL) 2018-07-05 US claimed
EP-3307941-A1 OXIDATIVE METHOD Catexel Technologies Limited (GB) 2018-04-18 EP claimed
US-20180094384-A1 OXIDATIVE METHOD CATEXEL B.V. (NL) 2018-04-05 US claimed
WO-2017106340-A1 ISOTOPIC FLUORINATION AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-06-22 WO claimed
WO-2016198891-A1 OXIDATIVE METHOD CHEMSENTI LIMITED (GB) 2016-12-15 WO claimed
WO-2025132825-A1 1H-IMIDAZO[4,5-C]QUINOLINE METAL-BASED COMPLEXES USEFUL AS MEDICAMENTS FUNDACIÓN DONOSTIA INTERNATIONAL PHYSICS CENTER - DIPC (ES) 2025-06-26 WO disclosed
CN-115385873-B Continuous synthesis method of perfluoro-2, 3-epoxy-2-methylpentane 山东华夏神舟新材料有限公司 2023-01-03 CN disclosed
CN-115385873-A Continuous synthesis method of perfluoro-2, 3-epoxy-2-methylpentane 山东华夏神舟新材料有限公司 2022-11-25 CN disclosed
US-7829342-B2 composition including a complex of a metal, a tetradentate ligand, at least one ancillary ligand, and a counterion is used for selective sp3 C H bond oxidation; includes a N-heterocyclic-N,N'-bis(pyridyl)-ethane-1,2-diamine group or a N,N'-bis(heterocyclic)-N,N'-bis(pyridyl)-ethane-1,2-diamine group THE BOARD OF TRUSTEES OF THE UNIVERSIY OF ILLINOIS (US) 2010-11-09 US disclosed
US-7829342-B2 composition including a complex of a metal, a tetradentate ligand, at least one ancillary ligand, and a counterion is used for selective sp3 C H bond oxidation; includes a N-heterocyclic-N,N'-bis(pyridyl)-ethane-1,2-diamine group or a N,N'-bis(heterocyclic)-N,N'-bis(pyridyl)-ethane-1,2-diamine group THE BOARD OF TRUSTEES OF THE UNIVERSIY OF ILLINOIS (US) 2010-11-09 US disclosed
US-20090221083-A1 Selective Aliphatic C-H Oxidation BOARD OF TRUSTEES OF UNIVERSITY OF ILLINOIS (US) 2009-09-03 US disclosed
US-20090221083-A1 Selective Aliphatic C-H Oxidation BOARD OF TRUSTEES OF UNIVERSITY OF ILLINOIS (US) 2009-09-03 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 (5 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-20090221083-A1 Selective Aliphatic C-H Oxidation AOC3, SOD3, AP3S1 TDP1 3179/4885MAPT 2961/4885SMN1; SMN2 3486/4885
US-10815616-B2 Oxidative method CAT, LPO, MPO TDP1 2935/4885MAPT 2450/4885SMN1; SMN2 1826/4885
US-10882745-B2 Oxidative method CAT, LPO, GPX4 TDP1 4126/4885MAPT 3440/4885SMN1; SMN2 4606/4885
US-20180362432-A1 ISOTOPIC FLUORINATION AND APPLICATIONS THEREOF FTH1, SFXN3, SOD1 TDP1 3999/4885MAPT 2906/4885SMN1; SMN2 1121/4885
US-20180094384-A1 OXIDATIVE METHOD CAT, LPO, MPO TDP1 2935/4885MAPT 2450/4885SMN1; SMN2 1826/4885

“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.