SCHEMBL4193230

SCHEMBL4193230

COc1ccc(Cl)cc1-c1nc(-c2ccccn2)co1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.46
KMT2A Q03164 4/20 0.46
HPGD P15428 3/20 0.46
MEN1 O00255 3/20 0.46
NPC1 O15118 7/20 0.46
RAB9A P51151 6/20 0.46
KDM4E B2RXH2 4/20 0.46
HSD17B10 Q99714 4/20 0.46
TP53 P04637 3/20 0.46
GAA P10253 2/20 0.46
PKM P14618 1/20 0.46
GRM7 Q14831 1/20 0.46
ALDH1A1 P00352 7/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
NPSR1 Q6W5P4 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
USP2 O75604 1/20 0.43
PRNP P04156 1/20 0.43
PPARG P37231 1/20 0.43
MAPK10 P53779 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
SCHEMBL6625121 0.90 NPC1 (0.46) SMN1; SMN2KMT2AHPGDMEN1NPC1
SCHEMBL4183752 0.81 NPC1 (0.73) SMN1; SMN2KMT2AHPGDMEN1NPC1
SCHEMBL4197892 0.74 GRM5 (0.60) SMN1; SMN2HPGDNPC1RAB9AKDM4E
SCHEMBL4182002 0.74 GRM5 (0.63) SMN1; SMN2HPGDNPC1RAB9AKDM4E
SCHEMBL4186479 0.73 GRM5 (0.61) SMN1; SMN2KMT2AHPGDMEN1NPC1
SCHEMBL4190704 0.73 NPC1 (0.46) SMN1; SMN2NPC1RAB9AKDM4EHSD17B10
SCHEMBL4192538 0.73 GRM5 (0.57) SMN1; SMN2KMT2AHPGDMEN1NPC1
SCHEMBL4189670 0.72 GRM5 (0.43) SMN1; SMN2KMT2AHPGDMEN1NPC1
SCHEMBL5959952 0.71 ENPP3 (0.68) SMN1; SMN2NPC1RAB9AGAAPKM
SCHEMBL4189978 0.71 GRM5 (0.63) SMN1; SMN2HPGDNPC1RAB9AKDM4E

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 25 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
EP-1210344-B1 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMA INC (US) 2005-10-19 EP claimed
EP-1582519-A2 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. (US) 2005-10-05 EP claimed
WO-2005060971-A1 TREATMENT OF REFLUX-RELATED DISEASES ASTRAZENECA AB (SE) 2005-07-07 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
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2003-03-20 US claimed
EP-1210344-A1 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2002-06-05 EP claimed
WO-2001012627-A1 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2001-02-22 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
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-20050154027-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. 2005-07-14 US disclosed
WO-2005060961-A2 TREATMENT OF TRANSIENT LOWER ESOPHAGEAL SPHINCTER RELAXATIONS (TLESRS) AND GASTRO-ESOPHAGEAL REFLUX DISEASE (GERD) ASTRAZENECA AB (US) 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
WO-2002068417-A3 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS SLASSI ABDELMALIK (CA) 2002-11-14 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 1279/4885KMT2A 2012/4885HPGD 2138/4885
US-20090054491-A1 Use FABP6, SLC10A2, GPR119 SMN1; SMN2 2639/4885KMT2A 2617/4885HPGD 351/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 SMN1; SMN2 1279/4885KMT2A 2012/4885HPGD 2138/4885
US-20070010553-A1 New use GRM5, GRM3, GRM1 SMN1; SMN2 3124/4885KMT2A 3596/4885HPGD 1553/4885

“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.