SCHEMBL2963178

SCHEMBL2963178

O=Cc1cc(-c2cccc(Cl)c2)on1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.50
NPC1 O15118 6/20 0.50
TP53 P04637 4/20 0.49
THRB P10828 1/20 0.49
MAPK1 P28482 2/20 0.48
ALDH1A1 P00352 3/20 0.47
POLB P06746 2/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL4326240 0.88 NOTUM (0.55) RAB9ANPC1TP53THRBMAPK1
SCHEMBL11902664 0.81 NPC1 (0.51) RAB9ANPC1TP53THRBMAPK1
SCHEMBL189929 0.81 RAB9A (0.55) RAB9ANPC1ALDH1A1POLBMAPT
SCHEMBL2967412 0.81 RAB9A (0.42) RAB9ANPC1TP53MAPK1ALDH1A1
SCHEMBL4627994 0.81 PTPN1 (0.41) RAB9ANPC1TP53ALDH1A1MAPT
SCHEMBL14138588 0.81 HSD17B1 (0.56) RAB9ANPC1TP53MAPK1ALDH1A1
SCHEMBL2489301 0.80 RAB9A (0.50) RAB9ANPC1TP53THRBMAPK1
Hydrochloric Acid SCHEMBL28551086 0.80 RAB9A (0.53) RAB9ANPC1ALDH1A1POLBMAPT
SCHEMBL16825991 0.75 NPC1 (0.50) RAB9ANPC1TP53THRBMAPK1
SCHEMBL8375633 0.75 RAB9A (0.54) RAB9ANPC1TP53THRBMAPK1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772235-B2 mGluR5 modulators ASTRAZENECA AB (SE) 2010-08-10 US disclosed
US-7772235-B2 mGluR5 modulators ASTRAZENECA AB (SE) 2010-08-10 US disclosed
US-7772235-B2 mGluR5 modulators ASTRAZENECA AB (SE) 2010-08-10 US disclosed
US-7476684-B2 Compounds for the treatment of neurological, psychiatric or pain disorders ASTRAZENECA AB (SE) 2009-01-13 US disclosed
US-7476684-B2 Compounds for the treatment of neurological, psychiatric or pain disorders ASTRAZENECA AB (SE) 2009-01-13 US disclosed
US-7476684-B2 Compounds for the treatment of neurological, psychiatric or pain disorders ASTRAZENECA AB (SE) 2009-01-13 US disclosed
CN-101273037-A New compounds for the treatment of neurological, psychiatric or pain disorders ASTRAZENECA AB (SE) 2008-09-24 CN disclosed
US-20080227824-A1 5-(Phenylisoxazolylethoxy) - Triazol- 3 -Yl Substituted Pyridine Compounds for the Treatment of Neurological, Psychiatric or Pain Disorders ASTRAZENECA AB (SE) 2008-09-18 US disclosed
US-20080227824-A1 5-(Phenylisoxazolylethoxy) - Triazol- 3 -Yl Substituted Pyridine Compounds for the Treatment of Neurological, Psychiatric or Pain Disorders ASTRAZENECA AB (SE) 2008-09-18 US disclosed
US-20080227824-A1 5-(Phenylisoxazolylethoxy) - Triazol- 3 -Yl Substituted Pyridine Compounds for the Treatment of Neurological, Psychiatric or Pain Disorders ASTRAZENECA AB (SE) 2008-09-18 US disclosed
US-20070270468-A1 NEW COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL, PSYCHIATRIC OR PAIN DISORDERS ASTRAZENECA AB (SE) 2007-11-22 US disclosed
US-20070270468-A1 NEW COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL, PSYCHIATRIC OR PAIN DISORDERS ASTRAZENECA AB (SE) 2007-11-22 US disclosed
US-20070270469-A1 NEW COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL, PSYCHIATRIC OR PAIN DISORDERS ASTRAZENECA AB (SE) 2007-11-22 US disclosed
US-20070270469-A1 NEW COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL, PSYCHIATRIC OR PAIN DISORDERS ASTRAZENECA AB (SE) 2007-11-22 US disclosed
US-20070270469-A1 NEW COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL, PSYCHIATRIC OR PAIN DISORDERS ASTRAZENECA AB (SE) 2007-11-22 US disclosed
US-20070129408-A1 New compounds for the treatment of neurological, psychiatric or pain disorders ASTRAZENECA AB (SE) 2007-06-07 US disclosed
US-20070129408-A1 New compounds for the treatment of neurological, psychiatric or pain disorders ASTRAZENECA AB (SE) 2007-06-07 US disclosed
US-20070129408-A1 New compounds for the treatment of neurological, psychiatric or pain disorders ASTRAZENECA AB (SE) 2007-06-07 US disclosed
WO-2007040982-A1 5- (PHENYLISOXAZOLYLETHOXY) -TRIAZOL- 3 -YL SUBSTITUTED PYRIDINE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL, PSYCHIATRIC OR PAIN DISORDERS ASTRAZENECA AB (SE) 2007-04-12 WO disclosed
WO-2007040982-A1 5- (PHENYLISOXAZOLYLETHOXY) -TRIAZOL- 3 -YL SUBSTITUTED PYRIDINE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL, PSYCHIATRIC OR PAIN DISORDERS ASTRAZENECA AB (SE) 2007-04-12 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-20070270469-A1 NEW COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL, PSYCHIATRIC OR PAIN DISORDERS GRIN2C, OPRL1, GRIN2A RAB9A 1050/4885NPC1 507/4885TP53 4844/4885
US-20080227824-A1 5-(Phenylisoxazolylethoxy) - Triazol- 3 -Yl Substituted Pyridine Compounds for the Treatment of Neurological, Psychiatric or Pain Disorders GRIN2C, GRIK5, GRIN3A RAB9A 1954/4885NPC1 852/4885TP53 4823/4885
US-20070270468-A1 NEW COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL, PSYCHIATRIC OR PAIN DISORDERS GRIN2C, OPRL1, GRIN2A RAB9A 1050/4885NPC1 507/4885TP53 4844/4885
US-20070129408-A1 New compounds for the treatment of neurological, psychiatric or pain disorders GRIN2C, OPRL1, GRIN2A RAB9A 1050/4885NPC1 507/4885TP53 4844/4885

“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.