SCHEMBL4197833

SCHEMBL4197833

COc1ccc(Br)cc1-c1nc(-c2ccccn2)no1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.73
RAB9A P51151 11/20 0.73
SMN1; SMN2 Q16637 9/20 0.73
PKM P14618 9/20 0.73
TP53 P04637 8/20 0.73
HSD17B10 Q99714 3/20 0.73
GAA P10253 2/20 0.73
KDM4E B2RXH2 2/20 0.73
ALDH1A1 P00352 4/20 0.65
MAPT P10636 3/20 0.65
TSHR P16473 2/20 0.64
HTT P42858 1/20 0.62
GRM5 P41594 4/20 0.60
L3MBTL1 Q9Y468 2/20 0.58
HSP90AA1 P07900 1/20 0.58
S1PR1 P21453 1/20 0.56
MITF O75030 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
POLB P06746 1/20 0.54
MEN1 O00255 1/20 0.52

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
SCHEMBL27552654 0.90 NPC1 (0.73) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL4345197 0.86 NPC1 (0.74) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL6451282 0.86 NPC1 (0.74) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL4183752 0.85 NPC1 (0.73) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL27572517 0.84 NPC1 (1.00) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL4190662 0.82 SMN1; SMN2 (0.68) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL8890243 0.82 NPC1 (0.68) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL4192808 0.82 NPC1 (0.68) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL1997376 0.82 PTGDR2 (0.55) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL27552674 0.81 NPC1 (0.73) NPC1RAB9ASMN1; SMN2PKMTP53

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 23 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
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-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-1379525-B1 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMA INC (US) 2007-10-10 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
US-20050154027-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. 2005-07-14 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-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 (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-20050154027-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 NPC1 941/4885RAB9A 1813/4885SMN1; SMN2 1279/4885
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

“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.