SCHEMBL5223837

SCHEMBL5223837

O=C(O)c1cccnc1OCS

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 2/20 0.55
KDM4E B2RXH2 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
ALDH1A1 P00352 6/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
BLM P54132 1/20 0.52
AGER Q15109 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
CYP2C9 P11712 1/20 0.44
DHODH Q02127 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 1/20 0.43
MYC P01106 1/20 0.42

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
SCHEMBL5227668 0.84 ALDH1A1 (0.44) NAPRTKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL12653141 0.82 KDM4E (0.53) NAPRTKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL123523 0.82 L3MBTL1 (0.64) ALDH1A1L3MBTL1MAPTTSHRSMN1; SMN2
SCHEMBL4350815 0.82 SMN1; SMN2 (0.55) NAPRTKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL1671161 0.81 KDM4E (0.52) NAPRTKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL25270601 0.79 KDM4E (0.50) NAPRTKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL1505205 0.79 KDM4E (0.50) NAPRTKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL3604199 0.79 L3MBTL1 (0.61) NAPRTKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL3084388 0.79 L3MBTL1 (0.50) NAPRTKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL14398437 0.79 KDM4E (0.50) NAPRTKDM4ETDP1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379525-B1 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMA INC (US) 2007-10-10 EP disclosed
US-7112595-B2 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. (US) 2006-09-26 US disclosed
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2006-08-24 US disclosed
EP-1679313-A2 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. (US) 2006-07-12 EP disclosed
US-20050154027-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. 2005-07-14 US disclosed
EP-1379525-A2 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2004-01-14 EP disclosed
US-6660753-B2 For therapy of stroke, head trauma, anoxic injury, ischemic injury, hypoglycemia, epilepsy, pain, migraine headaches, Parkinson's disease, senile dementia, Huntington's Chorea, anxiety, and Alzheimer's disease NPS PHARMACEUTICALS, INC. 2003-12-09 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

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-20050154027-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 NAPRT 1440/4885KDM4E 3972/4885TDP1 3341/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 NAPRT 1440/4885KDM4E 3972/4885TDP1 3341/4885
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 NAPRT 1440/4885KDM4E 3972/4885TDP1 3341/4885

“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.