SCHEMBL4190397

SCHEMBL4190397

Ic1cccc(-c2noc(-c3ccccn3)n2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.57
▸ NPC1 O15118 8/20 0.57
▸ PKM P14618 7/20 0.57
▸ SMN1; SMN2 Q16637 7/20 0.57
▸ TP53 P04637 6/20 0.57
▸ GRM5 P41594 11/20 0.57
▸ TSHR P16473 5/20 0.56
▸ MAPT P10636 5/20 0.56
▸ MITF O75030 1/20 0.56
▸ ALDH1A1 P00352 4/20 0.55
▸ HSD17B10 Q99714 3/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ KLF5 Q13887 2/20 0.55
▸ HPGD P15428 1/20 0.55
▸ CA12 O43570 1/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL29176880 0.82 NR1H4 (0.67) RAB9ANPC1PKMSMN1; SMN2TP53
SCHEMBL30817750 0.82 NR1H4 (0.67) RAB9ANPC1PKMSMN1; SMN2TP53
SCHEMBL4195382 0.80 GRM5 (0.81) RAB9ANPC1PKMSMN1; SMN2TP53
SCHEMBL4183981 0.80 RAB9A (0.69) RAB9ANPC1PKMSMN1; SMN2TP53
SCHEMBL4180934 0.80 NPC1 (0.81) RAB9ANPC1PKMSMN1; SMN2TP53
Hydrochloric Acid SCHEMBL5227288 0.79 RAB9A (0.67) RAB9ANPC1PKMSMN1; SMN2TP53
SCHEMBL31232561 0.78 KDM4E (0.50) RAB9ANPC1PKMSMN1; SMN2TP53
SCHEMBL4915886 0.78 KDM4E (0.50) RAB9ANPC1PKMSMN1; SMN2TP53
SCHEMBL1424895 0.78 TP53 (0.77) RAB9ANPC1PKMSMN1; SMN2TP53
SCHEMBL5959970 0.77 SMN1; SMN2 (0.78) RAB9ANPC1PKMSMN1; SMN2TP53

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
CN-1332959-C Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMA INC (US) 2007-08-22 — — CN 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
CN-1649865-A Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMA INC (US) 2005-08-03 — — CN 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-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 RAB9A 1813/4885NPC1 941/4885PKM 2453/4885
US-20090054491-A1 Use FABP6, SLC10A2, GPR119 RAB9A 3862/4885NPC1 463/4885PKM 965/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 RAB9A 1813/4885NPC1 941/4885PKM 2453/4885
US-20070010553-A1 New use GRM5, GRM3, GRM1 RAB9A 2078/4885NPC1 1385/4885PKM 3450/4885

“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.

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