SCHEMBL94909

SCHEMBL94909

[CH2]N(CCCCCC)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
JAK2 O60674 1/20 0.50
RAB9A P51151 1/20 0.50
PAX8 Q06710 1/20 0.50
KCNH2 Q12809 6/20 0.47
TACR1 P25103 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
ICMT O60725 1/20 0.41
ALB P02768 1/20 0.41
DRD2 P14416 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
CNR2 P34972 2/20 0.38
DNM1 Q05193 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL94622 0.98 NPC1 (0.47) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL96160 0.92 TDP1 (0.44) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL94627 0.83 TP53 (0.42) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL25226812 0.79 NPC1 (0.53) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL25227148 0.79 NPC1 (0.53) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL25223686 0.79 NPC1 (0.53) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL25276956 0.79 NPC1 (0.53) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL25278096 0.79 NPC1 (0.53) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL25227860 0.79 NPC1 (0.53) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL25224460 0.79 NPC1 (0.53) NPC1JAK2RAB9APAX8KCNH2

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 13 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-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 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
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 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
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN 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 (3 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 NPC1 2361/4885JAK2 114/4885RAB9A 3886/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 NPC1 2922/4885JAK2 92/4885RAB9A 2273/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 NPC1 2922/4885JAK2 92/4885RAB9A 2273/4885

“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.