SCHEMBL4179004

SCHEMBL4179004

Fc1ccc(-c2noc(-c3cc(Br)cc(-c4cccnc4)c3)n2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.54
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
TP53 P04637 4/20 0.54
TSHR P16473 2/20 0.54
PKM P14618 1/20 0.54
GRM5 P41594 6/20 0.53
CHRNB2 P17787 2/20 0.49
CHRNA5 P30532 2/20 0.49
CHRNA4 P43681 2/20 0.49
ALDH1A1 P00352 4/20 0.46
MAPT P10636 2/20 0.46
HSD17B10 Q99714 2/20 0.46
PPARA Q07869 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
KCNH2 Q12809 1/20 0.45
POLB P06746 1/20 0.45
S1PR1 P21453 1/20 0.44
NFKB1 P19838 1/20 0.43

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
SCHEMBL4186247 0.93 GRM5 (0.61) SMN1; SMN2NPC1RAB9ATP53TSHR
SCHEMBL14394780 0.90 TP53 (0.53) SMN1; SMN2NPC1RAB9ATP53TSHR
SCHEMBL4192819 0.90 TP53 (0.57) SMN1; SMN2NPC1RAB9ATP53TSHR
SCHEMBL4181321 0.84 CHRNB2 (0.51) SMN1; SMN2NPC1RAB9ATP53TSHR
SCHEMBL4188207 0.83 GRM5 (0.69) SMN1; SMN2NPC1RAB9ATP53TSHR
SCHEMBL4190475 0.82 GRM5 (0.65) SMN1; SMN2NPC1RAB9ATP53TSHR
SCHEMBL4198164 0.82 GRM5 (0.57) SMN1; SMN2NPC1RAB9ATP53TSHR
SCHEMBL4197333 0.81 GRM5 (0.74) SMN1; SMN2NPC1RAB9ATP53TSHR
SCHEMBL4193107 0.81 GRM5 (0.72) SMN1; SMN2NPC1RAB9ATP53TSHR
Hydrochloric Acid SCHEMBL5227505 0.80 GRM5 (0.71) SMN1; SMN2NPC1RAB9ATP53TSHR

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 16 patents. 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-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
US-20070010553-A1 New use ASTRAZENECA AB (SE) 2007-01-11 US 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-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 (5 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 SMN1; SMN2 1279/4885NPC1 941/4885RAB9A 1813/4885
US-20090054491-A1 Use FABP6, SLC10A2, GPR119 SMN1; SMN2 2639/4885NPC1 463/4885RAB9A 3862/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 SMN1; SMN2 1279/4885NPC1 941/4885RAB9A 1813/4885
US-20070010553-A1 New use GRM5, GRM3, GRM1 SMN1; SMN2 3124/4885NPC1 1385/4885RAB9A 2078/4885
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 SMN1; SMN2 1279/4885NPC1 941/4885RAB9A 1813/4885

“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.