SCHEMBL4186502

SCHEMBL4186502

c1ccc(-c2nc(-c3cncc(-c4cccnc4)c3)no2)nc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.69
RAB9A P51151 9/20 0.69
NPC1 O15118 8/20 0.69
TP53 P04637 7/20 0.69
PKM P14618 4/20 0.69
TSHR P16473 4/20 0.69
CHRNB2 P17787 1/20 0.56
CHRNA5 P30532 1/20 0.56
CHRNA4 P43681 1/20 0.56
MAPT P10636 5/20 0.55
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 3/20 0.55
HPGD P15428 3/20 0.55
HSD17B10 Q99714 2/20 0.55
CYP2A6 P11509 1/20 0.53
POLB P06746 1/20 0.52
LMNA P02545 1/20 0.51
KLF5 Q13887 1/20 0.51
PPARA Q07869 1/20 0.51
GRM5 P41594 2/20 0.50

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
SCHEMBL4183981 0.92 RAB9A (0.69) SMN1; SMN2RAB9ANPC1TP53PKM
Hydrochloric Acid SCHEMBL5227288 0.91 RAB9A (0.67) SMN1; SMN2RAB9ANPC1TP53PKM
SCHEMBL5959970 0.90 SMN1; SMN2 (0.78) SMN1; SMN2RAB9ANPC1TP53PKM
SCHEMBL5222730 0.90 TP53 (0.82) SMN1; SMN2RAB9ANPC1TP53PKM
SCHEMBL4197856 0.83 GRM5 (0.61) SMN1; SMN2RAB9ANPC1TP53PKM
SCHEMBL4186570 0.81 TP53 (0.74) SMN1; SMN2RAB9ANPC1TP53PKM
SCHEMBL4197333 0.80 GRM5 (0.74) SMN1; SMN2RAB9ANPC1TP53PKM
SCHEMBL14297251 0.78 CYP2A6 (0.73) SMN1; SMN2RAB9ANPC1TP53PKM
SCHEMBL1423031 0.77 CHRNB2 (0.71) SMN1; SMN2RAB9ANPC1TP53PKM
SCHEMBL4193000 0.77 GRM5 (0.76) SMN1; SMN2RAB9ANPC1TP53PKM

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 21 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-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
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
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
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 SMN1; SMN2 1279/4885RAB9A 1813/4885NPC1 941/4885
US-20090054491-A1 Use FABP6, SLC10A2, GPR119 SMN1; SMN2 2639/4885RAB9A 3862/4885NPC1 463/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 SMN1; SMN2 1279/4885RAB9A 1813/4885NPC1 941/4885
US-20070010553-A1 New use GRM5, GRM3, GRM1 SMN1; SMN2 3124/4885RAB9A 2078/4885NPC1 1385/4885

“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.