SCHEMBL3815074

SCHEMBL3815074

O=[N+]([O-])c1ccc(F)cc1OC[C@@H]1CO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
ALDH1A1 P00352 7/20 0.47
MAPT P10636 3/20 0.47
ATM Q13315 1/20 0.46
GLA P06280 1/20 0.45
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PKM P14618 2/20 0.43
FAAH O00519 2/20 0.42
ACHE P22303 2/20 0.42
HTT P42858 1/20 0.42
BCHE P06276 1/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
NPC1 O15118 1/20 0.41
RECQL P46063 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
SCHEMBL4824611 1.00 TDP1 (0.47) TDP1ALDH1A1MAPTATMGLA
SCHEMBL7168254 0.90 HSPB1 (0.45) TDP1ALDH1A1MAPTATMGLA
SCHEMBL6215780 0.84 ALDH1A1 (0.48) ALDH1A1MAPTGLASMN1; SMN2L3MBTL1
SCHEMBL4211458 0.84 NPC1 (0.60) TDP1ALDH1A1MAPTGLARAB9A
SCHEMBL4211452 0.84 NPC1 (0.60) TDP1ALDH1A1MAPTGLARAB9A
SCHEMBL3808783 0.84 NPC1 (0.60) TDP1ALDH1A1MAPTGLARAB9A
SCHEMBL1202697 0.82 ALDH1A1 (0.49) TDP1ALDH1A1MAPTATMRAB9A
SCHEMBL6311506 0.82 PKM (0.51) TDP1ALDH1A1MAPTGLARAB9A
SCHEMBL6216795 0.82 PKM (0.51) TDP1ALDH1A1MAPTGLARAB9A
SCHEMBL3859657 0.82 PKM (0.51) TDP1ALDH1A1MAPTGLARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306141-A1 Novel Compounds ASTRAZENECA AB (SE) 2009-12-10 US disclosed
US-7528156-B2 Compounds ASTRAZENECA AB (SE) 2009-05-05 US disclosed
US-7388020-B2 Benzimidazol derivatives modulate chemokine receptors ASTRAZENECA AB (SE) 2008-06-17 US disclosed
US-7345063-B2 Amides, preparation and therapeutic use as modulators of CCR-receptor activity ASTRAZENECA AB (SE) 2008-03-18 US disclosed
EP-1372651-B1 NOVEL AMIDES, PREPARATION AND THERAPEUTIC USE AS MODULATORS OF CCR-RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2007-03-07 EP 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
US-6911458-B2 Compounds ASTRA ZENECA (SE) 2005-06-28 US disclosed
EP-1263724-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2005-05-18 EP disclosed
EP-1373248-A1 BENZIMIDAZOL DERIVATIVES MODULATE CHEMOKINE RECEPTORS AstraZeneca AB (SE) 2004-01-02 EP disclosed
US-20030162772-A1 Novel compounds ASTRAZENECA AB (SE) 2003-08-28 US 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-1299357-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2003-04-09 EP disclosed
WO-2002074763-A9 BENZIMIDAZOL DERIVATIVES MODULATE CHEMOKINE RECEPTORS ASTRAZENECA AB (SE) 2002-10-24 WO disclosed
WO-2002076457-A1 NOVEL AMIDES, PREPARATION AND THERAPEUTIC USE AS MODULATORS OF CCR-RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2002-10-03 WO disclosed
WO-2002074763-A1 BENZIMIDAZOL DERIVATIVES MODULATE CHEMOKINE RECEPTORS ASTRAZENECA AB (SE) 2002-09-26 WO disclosed
WO-2001098273-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-12-27 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 (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-20030158225-A1 Novel compounds UGT2B7, RPS4Y1, RPS4X TDP1 4218/4885ALDH1A1 1012/4885MAPT 3699/4885
US-20090306141-A1 Novel Compounds CHRM2, CHRM1, C1R TDP1 3305/4885ALDH1A1 1779/4885MAPT 4084/4885
US-20030149047-A1 Novel compounds RPS4Y1, RPS4X, RPS6 TDP1 3881/4885ALDH1A1 924/4885MAPT 3658/4885
US-20030162772-A1 Novel compounds RPS4X, RPS4Y1, MRPS18A TDP1 4297/4885ALDH1A1 949/4885MAPT 3867/4885
US-20030144267-A1 Novel compounds RPS4X, RPS4Y1, UGT2B7 TDP1 4435/4885ALDH1A1 1466/4885MAPT 3632/4885

“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.