SCHEMBL4182562

SCHEMBL4182562

O=C(c1ccccc1)c1cccc(-c2nc(-c3ccccn3)no2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.69
▸ PKM P14618 10/20 0.69
▸ TP53 P04637 10/20 0.69
▸ SMN1; SMN2 Q16637 9/20 0.69
▸ NPC1 O15118 9/20 0.69
▸ GRM5 P41594 10/20 0.67
▸ MAPT P10636 7/20 0.66
▸ TSHR P16473 6/20 0.66
▸ ALDH1A1 P00352 3/20 0.66
▸ HSD17B10 Q99714 3/20 0.66
▸ KDM4E B2RXH2 2/20 0.66
▸ LMNA P02545 2/20 0.66
▸ KLF5 Q13887 2/20 0.66
▸ MITF O75030 1/20 0.66
▸ HPGD P15428 1/20 0.66
▸ NPSR1 Q6W5P4 1/20 0.61
▸ KMT2A Q03164 3/20 0.59
▸ MAPK1 P28482 2/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ MEN1 O00255 2/20 0.56

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
SCHEMBL16817841 0.83 ATM (0.59) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL5959953 0.83 PKM (1.00) RAB9APKMTP53SMN1; SMN2NPC1
SCHEMBL4197929 0.81 GRM5 (1.00) RAB9APKMTP53SMN1; SMN2NPC1
SCHEMBL5108635 0.80 KAT6A (0.55) TP53SMN1; SMN2KDM4ELMNAKMT2A
SCHEMBL4179232 0.80 GRM5 (1.00) RAB9APKMTP53SMN1; SMN2NPC1
SCHEMBL4190470 0.80 GRM5 (1.00) RAB9APKMTP53SMN1; SMN2NPC1
SCHEMBL4193044 0.80 GRM5 (1.00) RAB9APKMTP53SMN1; SMN2NPC1
SCHEMBL4193514 0.79 RAB9A (0.77) RAB9APKMTP53SMN1; SMN2NPC1
Dimethylamine SCHEMBL4192736 0.77 PKM (0.88) RAB9APKMTP53SMN1; SMN2NPC1
SCHEMBL2455727 0.77 RAB9A (1.00) RAB9APKMTP53SMN1; SMN2NPC1

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 26 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
WO-2005060971-A1 TREATMENT OF REFLUX-RELATED DISEASES ASTRAZENECA AB (SE) 2005-07-07 — — WO 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
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
EP-1379525-B1 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMA INC (US) 2007-10-10 — — 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-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2006-08-24 — — 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
CN-1379775-A Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMA INC (US) 2002-11-13 — — CN 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 (4 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 RAB9A 3862/4885PKM 965/4885TP53 4856/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 RAB9A 1813/4885PKM 2453/4885TP53 4795/4885
US-20070010553-A1 New use GRM5, GRM3, GRM1 RAB9A 2078/4885PKM 3450/4885TP53 4884/4885
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 RAB9A 1813/4885PKM 2453/4885TP53 4795/4885

“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.

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