SCHEMBL94608

SCHEMBL94608

[CH2]c1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.72
POLB P06746 3/20 0.62
ALDH1A1 P00352 2/20 0.62
KCNK9 Q9NPC2 3/20 0.59
KCNK3 O14649 3/20 0.59
TSHR P16473 1/20 0.58
KMT2A Q03164 5/20 0.58
MEN1 O00255 3/20 0.58
CACNA1B Q00975 1/20 0.58
APBA1 Q02410 1/20 0.58
NPC1 O15118 1/20 0.58
TP53 P04637 2/20 0.56
BTK Q06187 1/20 0.55

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
SCHEMBL13986890 0.87 RAB9A (0.77) RAB9APOLBALDH1A1KCNK9KCNK3
SCHEMBL94356 0.86 CACNA1B (0.71) RAB9APOLBALDH1A1TSHRKMT2A
SCHEMBL7745878 0.85 KCNK3 (0.82) RAB9APOLBKCNK9KCNK3TSHR
SCHEMBL10069470 0.81 KCNK9 (0.81) RAB9APOLBALDH1A1KCNK9KCNK3
SCHEMBL95403 0.81 NPC1 (0.73) RAB9AALDH1A1KCNK9KCNK3TSHR
SCHEMBL1901172 0.80 ALDH1A1 (0.76) RAB9APOLBALDH1A1KMT2AMEN1
SCHEMBL95091 0.80 KCNK3 (0.65) RAB9AALDH1A1KCNK9KCNK3KMT2A
SCHEMBL94789 0.80 NPC1 (0.81) RAB9AALDH1A1KCNK9KCNK3KMT2A
SCHEMBL95529 0.80 SMN1; SMN2 (0.66) RAB9APOLBALDH1A1TSHRKMT2A
SCHEMBL94763 0.79 PTPN1 (0.71) RAB9APOLBKCNK9KCNK3KMT2A

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 14 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-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
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 RAB9A 3886/4885POLB 1340/4885ALDH1A1 2948/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 RAB9A 2273/4885POLB 4329/4885ALDH1A1 2458/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 RAB9A 2273/4885POLB 4329/4885ALDH1A1 2458/4885

“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.