SCHEMBL1021735

SCHEMBL1021735

N#CC(c1ccc(O)cc1)N1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 1.00
SMN1; SMN2 Q16637 3/20 1.00
ACHE P22303 7/20 0.71
L3MBTL1 Q9Y468 2/20 0.60
KDM4E B2RXH2 1/20 0.60
HSD17B10 Q99714 1/20 0.60
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
OPRL1 P41146 1/20 0.43
GRM5 P41594 1/20 0.40
KCNA5 P22460 1/20 0.40
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL2784285 0.83 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E
SCHEMBL22854282 0.83 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E
SCHEMBL15797437 0.83 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E
SCHEMBL1019672 0.83 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E
SCHEMBL24994428 0.83 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E
SCHEMBL7296589 0.83 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E
SCHEMBL2781893 0.83 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E
SCHEMBL7328074 0.81 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E
SCHEMBL3114045 0.80 ALDH1A1 (0.67) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
CN-101378757-B Thiadiazole derivatives for the treatment of neuro degenerative diseases REMYND NV 2012-08-01 CN 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
EP-1981504-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES REMYND NV (BE) 2010-07-21 EP disclosed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
EP-2094677-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV Remynd (BE) 2009-09-02 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

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-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885SMN1; SMN2 4/4885ACHE 2964/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885SMN1; SMN2 4/4885ACHE 2964/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885SMN1; SMN2 4/4885ACHE 2964/4885
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES SNCA, PARK7, PRNP ALDH1A1 608/4885SMN1; SMN2 8/4885ACHE 524/4885

“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.