SCHEMBL3636618

SCHEMBL3636618

NC(=O)Nc1ccccc1OCC1CO1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
GLA P06280 1/20 0.54
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 4/20 0.46
MAPT P10636 2/20 0.46
MRGPRX1 Q96LB2 1/20 0.44
MCL1 Q07820 1/20 0.44
NPC1 O15118 2/20 0.43
GAA P10253 2/20 0.43
PTK2 Q05397 1/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
NLRP1 Q9C000 1/20 0.42
TSHR P16473 2/20 0.41
USP2 O75604 2/20 0.41
CYP3A4 P08684 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
BRD4 O60885 1/20 0.41

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
SCHEMBL3859470 1.00 ALDH1A1 (0.54) ALDH1A1GLATDP1LMNAMAPT
SCHEMBL3814852 0.87 BRD4 (0.57) ALDH1A1GLALMNAMAPTNPC1
SCHEMBL3809740 0.87 BRD4 (0.57) ALDH1A1GLALMNAMAPTNPC1
SCHEMBL3805824 0.86 ALDH1A1 (0.51) ALDH1A1GLATDP1MAPTMRGPRX1
SCHEMBL29817973 0.83 ALDH1A1 (0.49) ALDH1A1GLATDP1LMNAMAPT
SCHEMBL4634082 0.82 CCR1 (0.45) ALDH1A1GLAHTTTSHRPOLB
SCHEMBL4216723 0.82 CCR1 (0.45) ALDH1A1GLAHTTTSHRPOLB
SCHEMBL1952437 0.82 ALDH1A1 (0.51) ALDH1A1GLALMNANPC1GAA
SCHEMBL11162254 0.79 ALDH1A1 (0.61) ALDH1A1GLATDP1LMNAMAPT
SCHEMBL3814904 0.78 ALDH1A1 (0.55) ALDH1A1GLATDP1LMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170334-A1 NMDA RECEPTOR ANTAGONISTS FOR NEUROPROTECTION Emory University (US) 2010-04-07 EP disclosed
WO-2009006437-A1 NMDA RECEPTOR ANTAGONISTS FOR NEUROPROTECTION EMORY UNIVERSITY (US) 2009-01-08 WO disclosed
US-6951874-B2 Compounds ASTRAZENECA AB (SE) 2005-10-04 US disclosed
US-6943188-B2 Hydroxyalkyl compounds ASTRAZENECA AB (SE) 2005-09-13 US disclosed
US-6927222-B2 1,3,4,5-tetrahydro-pyrido(4,3-b)indole-2-yl derivative useful for treating rheumatoid arthritis, chronic obstructive pulmonary disease, asthma and multple sclerosis ASTRAZENECA AB (SE) 2005-08-09 US disclosed
EP-1263724-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2005-05-18 EP disclosed
US-20030158225-A1 Novel compounds ASTRAZENECA AB (SE) 2003-08-21 US disclosed
US-20030149047-A1 Novel compounds ASTRAZENCA AB (SE) 2003-08-07 US disclosed
US-20030144267-A1 Novel compounds ASTRAZENECA AB (SE) 2003-07-31 US disclosed
EP-1263760-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-12-11 EP disclosed
EP-1263725-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-12-11 EP disclosed
EP-1263724-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-12-11 EP disclosed
WO-2001062757-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-08-30 WO disclosed
WO-2001062728-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-08-30 WO disclosed
WO-2001062729-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-08-30 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-20030158225-A1 Novel compounds UGT2B7, RPS4Y1, RPS4X ALDH1A1 1012/4885GLA 1338/4885TDP1 4218/4885
US-20030149047-A1 Novel compounds RPS4Y1, RPS4X, RPS6 ALDH1A1 924/4885GLA 1358/4885TDP1 3881/4885
US-20030144267-A1 Novel compounds RPS4X, RPS4Y1, UGT2B7 ALDH1A1 1466/4885GLA 1361/4885TDP1 4435/4885

“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.