Sugi Predict

Sugi Predict / Compounds / SCHEMBL4181850

SCHEMBL4181850

SCHEMBL4181850

COc1cccc(-c2nc(-c3ccccn3)no2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 10/20 1.00
▸ RAB9A P51151 10/20 1.00
▸ GRM5 P41594 8/20 1.00
▸ SMN1; SMN2 Q16637 8/20 1.00
▸ PKM P14618 7/20 1.00
▸ L3MBTL1 Q9Y468 2/20 0.74
▸ HSP90AA1 P07900 1/20 0.74
▸ TP53 P04637 9/20 0.71
▸ NFKB1 P19838 1/20 0.71
▸ NFKB2 Q00653 1/20 0.71
▸ RELA Q04206 1/20 0.71
▸ TDP1 Q9NUW8 1/20 0.71
▸ MAPT P10636 8/20 0.66
▸ TSHR P16473 3/20 0.66
▸ MITF O75030 1/20 0.66
▸ ALDH1A1 P00352 3/20 0.65
▸ KDM4E B2RXH2 2/20 0.65
▸ LMNA P02545 2/20 0.65
▸ KLF5 Q13887 2/20 0.65
▸ HSD17B10 Q99714 2/20 0.65

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
SCHEMBL4192509 0.90 NPC1 (0.80) NPC1RAB9AGRM5SMN1; SMN2PKM
SCHEMBL4180934 0.90 NPC1 (0.81) NPC1RAB9AGRM5SMN1; SMN2PKM
SCHEMBL4183726 0.89 RAB9A (0.81) NPC1RAB9AGRM5SMN1; SMN2PKM
SCHEMBL5959935 0.87 GRM5 (0.77) NPC1RAB9AGRM5SMN1; SMN2PKM
SCHEMBL4193514 0.87 RAB9A (0.77) NPC1RAB9AGRM5SMN1; SMN2PKM
SCHEMBL4192350 0.85 NPC1 (0.73) NPC1RAB9AGRM5SMN1; SMN2PKM
SCHEMBL4187017 0.84 GRM5 (1.00) NPC1RAB9AGRM5SMN1; SMN2PKM
SCHEMBL4193044 0.82 GRM5 (1.00) NPC1RAB9AGRM5SMN1; SMN2PKM
SCHEMBL5959942 0.82 GRM5 (0.69) NPC1RAB9AGRM5SMN1; SMN2PKM
SCHEMBL5959939 0.82 GRM5 (0.75) NPC1RAB9AGRM5SMN1; SMN2PKM

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 36 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-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 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
EP-2672971-A1 METABOTROPIC GLUTAMATE RECEPTOR GROUP I ANTAGONISTS FOR TREATMENT OF ABNORMAL UNION OF TISSUE Pharmalundensis AB (SE) 2013-12-18 — — EP disclosed
WO-2012108831-A1 METABOTROPIC GLUTAMATE RECEPTOR GROUP I ANTAGONISTS FOR TREATMENT OF ABNORMAL UNION OF TISSUE REDECO CHEM AB (SE) 2012-08-16 — — WO disclosed
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-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 NPC1 463/4885RAB9A 3862/4885GRM5 582/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 NPC1 941/4885RAB9A 1813/4885GRM5 8/4885
US-20070010553-A1 New use GRM5, GRM3, GRM1 NPC1 1385/4885RAB9A 2078/4885GRM5 1/4885

“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.