SCHEMBL4188078

SCHEMBL4188078

COc1cc(F)cc(-c2nc(-c3ccc(F)cn3)no2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.63
KCNH2 Q12809 1/20 0.54
TP53 P04637 3/20 0.53
TSHR P16473 1/20 0.53
RAB9A P51151 7/20 0.51
NPC1 O15118 7/20 0.51
MAPT P10636 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
PKM P14618 2/20 0.50
HPGD P15428 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
HSP90AA1 P07900 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
KDM1A O60341 1/20 0.46
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44

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
SCHEMBL4190452 0.95 GRM5 (0.62) GRM5KCNH2TP53TSHRRAB9A
SCHEMBL4193192 0.90 GRM5 (0.51) GRM5KCNH2TP53TSHRRAB9A
SCHEMBL4186575 0.86 GRM5 (0.76) GRM5KCNH2TP53TSHRRAB9A
SCHEMBL4192302 0.85 RAB9A (0.53) GRM5TP53TSHRRAB9ANPC1
SCHEMBL14394808 0.83 GRM5 (0.67) GRM5KCNH2TP53TSHRRAB9A
SCHEMBL4188207 0.82 GRM5 (0.69) GRM5KCNH2TP53TSHRRAB9A
SCHEMBL4200106 0.81 GRM5 (0.67) GRM5KCNH2TP53TSHRRAB9A
SCHEMBL14394939 0.80 GRM5 (0.63) GRM5KCNH2TP53TSHRRAB9A
SCHEMBL14394783 0.80 RAB9A (0.45) GRM5KCNH2TP53TSHRRAB9A
SCHEMBL4178996 0.79 GRM5 (0.65) GRM5KCNH2RAB9ANPC1SMN1; SMN2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054491-A1 Use ASTRAZENECA AB (SE) 2009-02-26 US claimed
US-20070010553-A1 New use ASTRAZENECA AB (SE) 2007-01-11 US 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
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2006-08-24 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
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

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 GRM5 8/4885KCNH2 860/4885TP53 4795/4885
US-20090054491-A1 Use FABP6, SLC10A2, GPR119 GRM5 582/4885KCNH2 3309/4885TP53 4856/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 GRM5 8/4885KCNH2 860/4885TP53 4795/4885
US-20070010553-A1 New use GRM5, GRM3, GRM1 GRM5 1/4885KCNH2 693/4885TP53 4884/4885
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 GRM5 8/4885KCNH2 860/4885TP53 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.