Sugi Predict

Sugi Predict / Compounds / SCHEMBL4180934

SCHEMBL4180934

SCHEMBL4180934

COc1cccc(-c2noc(-c3ccccn3)n2)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 13/20 0.81
▸ RAB9A P51151 12/20 0.81
▸ SMN1; SMN2 Q16637 8/20 0.81
▸ GRM5 P41594 3/20 0.81
▸ PKM P14618 2/20 0.81
▸ TP53 P04637 5/20 0.67
▸ NFKB1 P19838 3/20 0.67
▸ NFKB2 Q00653 3/20 0.67
▸ RELA Q04206 3/20 0.67
▸ TDP1 Q9NUW8 1/20 0.67
▸ MAPT P10636 7/20 0.63
▸ CYP1A2 P05177 1/20 0.63
▸ CYP3A4 P08684 1/20 0.63
▸ CYP2D6 P10635 1/20 0.63
▸ CYP2C9 P11712 1/20 0.63
▸ CYP2C19 P33261 1/20 0.63
▸ HSP90AA1 P07900 1/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ MEN1 O00255 3/20 0.58
▸ KMT2A Q03164 3/20 0.58

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
SCHEMBL4181850 0.90 NPC1 (1.00) NPC1RAB9ASMN1; SMN2GRM5PKM
SCHEMBL4192709 0.84 GRM5 (0.64) NPC1RAB9ASMN1; SMN2GRM5PKM
SCHEMBL12420362 0.83 NPC1 (0.88) NPC1RAB9ASMN1; SMN2GRM5PKM
SCHEMBL4192509 0.82 NPC1 (0.80) NPC1RAB9ASMN1; SMN2GRM5PKM
SCHEMBL4183726 0.81 RAB9A (0.81) NPC1RAB9ASMN1; SMN2GRM5PKM
SCHEMBL4183886 0.81 GRM5 (0.70) NPC1RAB9ASMN1; SMN2GRM5PKM
SCHEMBL29496945 0.80 DYRK1A (0.66) NPC1RAB9ASMN1; SMN2GRM5PKM
SCHEMBL183897 0.80 DYRK1A (0.66) NPC1RAB9ASMN1; SMN2GRM5PKM
SCHEMBL4190397 0.80 RAB9A (0.57) NPC1RAB9ASMN1; SMN2GRM5PKM
SCHEMBL6831093 0.78 DYRK1A (0.64) NPC1RAB9ASMN1; SMN2GRM5PKM

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-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-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-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
WO-2005060971-A1 TREATMENT OF REFLUX-RELATED DISEASES ASTRAZENECA AB (SE) 2005-07-07 — — WO 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-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 NPC1 463/4885RAB9A 3862/4885SMN1; SMN2 2639/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 NPC1 941/4885RAB9A 1813/4885SMN1; SMN2 1279/4885
US-20070010553-A1 New use GRM5, GRM3, GRM1 NPC1 1385/4885RAB9A 2078/4885SMN1; SMN2 3124/4885
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 NPC1 941/4885RAB9A 1813/4885SMN1; SMN2 1279/4885

“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.