SCHEMBL95000

SCHEMBL95000

[CH2]c1ccc(C(=O)NC2CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.62
NPC1 O15118 6/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
KMT2A Q03164 3/20 0.62
MEN1 O00255 1/20 0.62
MAPT P10636 2/20 0.57
HPGD P15428 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
SMYD3 Q9H7B4 4/20 0.54
LMNA P02545 1/20 0.51
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
MAPK14 Q16539 1/20 0.47
CYP46A1 Q9Y6A2 1/20 0.47

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
SCHEMBL2305213 0.92 RAB9A (0.62) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL95459 0.91 NPC1 (0.70) RAB9ANPC1SMN1; SMN2KMT2AMAPT
SCHEMBL2536584 0.83 RAB9A (0.57) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL13708645 0.82 RAB9A (0.70) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL1477302 0.82 RAB9A (0.65) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL8660420 0.82 RAB9A (0.70) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL6569206 0.82 RAB9A (0.65) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL123652 0.81 NPC1 (0.79) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL14145483 0.80 RAB9A (0.62) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL3442327 0.80 RAB9A (0.62) RAB9ANPC1SMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
CN-101489555-A Nf-kappa OTSUKA PHARMA CO LTD (JP) 2009-07-22 CN disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2007119600-A9 CARBAZOLE COMPOUND OTSUKA PHARMA CO LTD (JP) 2008-05-02 WO disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
WO-2007119600-A1 CARBAZOLE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 WO disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 EP disclosed
WO-2003097618-A1 MORPHOLINYLMETHYLUREAS CCR-3 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2003-11-27 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 (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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB RAB9A 3886/4885NPC1 2361/4885SMN1; SMN2 3998/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 RAB9A 2273/4885NPC1 2922/4885SMN1; SMN2 3084/4885
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 RAB9A 2274/4885NPC1 1159/4885SMN1; SMN2 3569/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 RAB9A 2471/4885NPC1 1195/4885SMN1; SMN2 3448/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 RAB9A 2273/4885NPC1 2922/4885SMN1; SMN2 3084/4885

“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.