SCHEMBL1019672

SCHEMBL1019672

N#CC(c1ccc(Cl)cc1)N1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 1.00
SMN1; SMN2 Q16637 4/20 0.71
ACHE P22303 5/20 0.58
L3MBTL1 Q9Y468 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
P4HB P07237 1/20 0.43
SMAD3 P84022 1/20 0.43
RPS6KB1 P23443 1/20 0.43
P2RX7 Q99572 1/20 0.42
ADRB2 P07550 1/20 0.42
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
OPRL1 P41146 1/20 0.40

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
SCHEMBL9162336 0.91 ALDH1A1 (0.83) ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E
SCHEMBL22854282 0.87 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E
SCHEMBL16462127 0.84 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2ACHERPS6KB1OPRL1
SCHEMBL1021735 0.83 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E
SCHEMBL15797437 0.83 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E
SCHEMBL24994428 0.83 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E
SCHEMBL2784285 0.83 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E
SCHEMBL7296589 0.83 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E
SCHEMBL2781893 0.83 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E
SCHEMBL11007040 0.83 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200172530-A1 Small Molecule Sensitization of BAX Activation for Induction of Cell Death DANA-FARBER CANCER INSTITUTE, INC. 2020-06-04 US disclosed
US-9718774-B2 Indole carboxamide derivatives as P2X7 receptor antagonist IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-01 US disclosed
EP-2931717-B1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2016-12-07 EP disclosed
US-20150322008-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONIST ACTELION PHARMACEUTICALS LTD (CH) 2015-11-12 US disclosed
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US disclosed
EP-2094677-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES REMYND NV (BE) 2011-01-12 EP disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-7795256-B2 Thieno-pyridinone derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2010-09-14 US disclosed
EP-1981504-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES REMYND NV (BE) 2010-07-21 EP disclosed
CN-101378757-A Thiadiazole derivatives for the treatment of neuro degenerative diseases REMYND NV (BE) 2009-03-04 CN disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US disclosed
EP-1981504-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV Remynd (BE) 2008-10-22 EP disclosed
WO-2008061781-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2008-05-29 WO disclosed
WO-2007090617-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV REMYND (BE) 2007-08-16 WO disclosed
US-20070078131-A1 Thieno-pyridinone derivatives as kinase inhibitors CELLTECH R&D LIMITED (GB) 2007-04-05 US disclosed
EP-1680429-A1 THIENO-PYRIDINONE DERIVATIVES AS KINASE INHIBITORS Celltech R & D Limited (GB) 2006-07-19 EP disclosed
WO-2005042540-A1 THIENO-PYRIDINONE DERIVATIVES AS KINASE INHIBITORS CELLTECH R & D LIMITED (GB) 2005-05-12 WO disclosed
EP-0010347-B1 NOVEL SUBSTITUTED OMEGA-AROYL(PROPIONYL OR BUTYRYL)-L-PROLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION AMERICAN CYANAMID COMPANY (US) 1983-11-09 EP disclosed
US-4226775-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1980-10-07 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-20200172530-A1 Small Molecule Sensitization of BAX Activation for Induction of Cell Death BAX, BAD, TMBIM6 ALDH1A1 4275/4885SMN1; SMN2 2865/4885ACHE 4675/4885
US-20150322008-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONIST P2RX3, P2RX7, P2RX1 ALDH1A1 1594/4885SMN1; SMN2 4608/4885ACHE 1018/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885SMN1; SMN2 4/4885ACHE 2964/4885
US-20070078131-A1 Thieno-pyridinone derivatives as kinase inhibitors MAP3K6, MAP4K2, MAP3K15 ALDH1A1 2586/4885SMN1; SMN2 3314/4885ACHE 3989/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885SMN1; SMN2 4/4885ACHE 2964/4885

“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.