SCHEMBL4194789

SCHEMBL4194789

c1ccc(-c2coc(-c3cccc4ccccc34)n2)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.61
SMN1; SMN2 Q16637 7/20 0.61
ALDH1A1 P00352 6/20 0.61
MAPT P10636 6/20 0.61
HPGD P15428 6/20 0.61
HSD17B10 Q99714 4/20 0.61
MAPK1 P28482 4/20 0.61
TP53 P04637 4/20 0.61
NPC1 O15118 4/20 0.61
ENPP1 P22413 2/20 0.50
GAA P10253 2/20 0.48
TGFBR1 P36897 1/20 0.47
LMNA P02545 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
CCR1 P32246 2/20 0.46
CCR5 P51681 2/20 0.46
CCR8 P51685 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
ALOX15 P16050 2/20 0.46
ALPL P05186 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
SCHEMBL4197892 0.80 GRM5 (0.60) KDM4ESMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL4431583 0.80 ENPP1 (0.60) KDM4ESMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL4179013 0.79 GRM5 (0.49) KDM4ESMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL4189978 0.79 GRM5 (0.63) KDM4ESMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL31473547 0.78 KDM4E (0.63) KDM4ESMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL57525 0.78 KDM4E (0.63) KDM4ESMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL29484714 0.78 KDM4E (0.63) KDM4ESMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL31607260 0.78 KDM4E (0.63) KDM4ESMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL30414741 0.78 ENPP1 (0.49) KDM4ESMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL30414742 0.78 ENPP1 (0.49) KDM4ESMN1; SMN2ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054491-A1 Use ASTRAZENECA AB (SE) 2009-02-26 US claimed
EP-1896011-A1 NEW USE AstraZeneca AB (SE) 2008-03-12 EP claimed
US-20070010553-A1 New use ASTRAZENECA AB (SE) 2007-01-11 US claimed
WO-2007001973-A1 NEW USE ASTRAZENECA AB (SE) 2007-01-04 WO claimed
EP-1582519-A2 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. (US) 2005-10-05 EP claimed
WO-2005060961-A2 TREATMENT OF TRANSIENT LOWER ESOPHAGEAL SPHINCTER RELAXATIONS (TLESRS) AND GASTRO-ESOPHAGEAL REFLUX DISEASE (GERD) ASTRAZENECA AB (US) 2005-07-07 WO claimed
WO-2005060971-A1 TREATMENT OF REFLUX-RELATED DISEASES ASTRAZENECA AB (SE) 2005-07-07 WO claimed
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2003-03-20 US claimed
EP-1210344-A1 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2002-06-05 EP claimed
WO-2001012627-A1 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2001-02-22 WO claimed
US-20090054491-A1 Use ASTRAZENECA AB (SE) 2009-02-26 US disclosed
EP-1896011-A1 NEW USE AstraZeneca AB (SE) 2008-03-12 EP disclosed
US-20070010553-A1 New use ASTRAZENECA AB (SE) 2007-01-11 US disclosed
WO-2007001973-A1 NEW USE ASTRAZENECA AB (SE) 2007-01-04 WO disclosed
US-7112595-B2 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. (US) 2006-09-26 US disclosed
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2003-03-20 US disclosed
WO-2002068417-A3 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS SLASSI ABDELMALIK (CA) 2002-11-14 WO disclosed
WO-2002068417-A2 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2002-09-06 WO disclosed
EP-1210344-A1 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2002-06-05 EP disclosed
WO-2001012627-A1 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2001-02-22 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-20090054491-A1 Use FABP6, SLC10A2, GPR119 KDM4E 3046/4885SMN1; SMN2 2639/4885ALDH1A1 276/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 KDM4E 3972/4885SMN1; SMN2 1279/4885ALDH1A1 3466/4885
US-20070010553-A1 New use GRM5, GRM3, GRM1 KDM4E 3765/4885SMN1; SMN2 3124/4885ALDH1A1 3980/4885

“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.