SCHEMBL94707

SCHEMBL94707

[CH2]CCCOc1cccc2ncccc12

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 7/20 0.46
HTR1A P08908 4/20 0.44
HTR1B P28222 2/20 0.44
HTR1D P28221 1/20 0.44
SLC6A4 P31645 3/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYBB P04839 2/20 0.42
NOX5 Q96PH1 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NR3C1 P04150 2/20 0.40

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
SCHEMBL96005 0.95 NCF1 (0.49) NCF1HTR1AHTR1BHTR1DSLC6A4
SCHEMBL96224 0.94 NCF1 (0.51) NCF1HTR1AHTR1BHTR1DSLC6A4
SCHEMBL96151 0.92 HTR1A (0.45) NCF1HTR1AHTR1BHTR1DSLC6A4
SCHEMBL23412188 0.90 NCF1 (0.51) NCF1HTR1AHTR1BHTR1DSLC6A4
SCHEMBL23412437 0.88 NCF1 (0.58) NCF1HTR1AHTR1BHTR1DSLC6A4
SCHEMBL23412378 0.88 MAPT (0.52) NCF1HTR1AHTR1BHTR1DSLC6A4
SCHEMBL8068790 0.85 ALDH1A1 (0.48) NCF1HTR1AHTR1BHTR1DSLC6A4
SCHEMBL94786 0.84 KDM4E (0.48) HTR1AHTR1BHTR1DMAPTKDM4E
SCHEMBL9184287 0.83 NCF1 (0.46) NCF1HTR1AHTR1BHTR1DSLC6A4
SCHEMBL8058421 0.83 NCF1 (0.50) NCF1HTR1AHTR1BHTR1DSLC6A4

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 11 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
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 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 (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 NCF1 74/4885HTR1A 4456/4885HTR1B 3484/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 NCF1 79/4885HTR1A 3267/4885HTR1B 4032/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 NCF1 79/4885HTR1A 3267/4885HTR1B 4032/4885

“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.