SCHEMBL95796

SCHEMBL95796

[CH2]c1ccc(C(=O)N(C)CC(=O)OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
DRD2 P14416 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LIMK2 P53671 3/20 0.37
HSD11B1 P28845 1/20 0.37
ABL1 P00519 1/20 0.37
LCK P06239 1/20 0.37
LIMK1 P53667 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
HSD17B2 P37059 1/20 0.36

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
SCHEMBL3035829 0.83 PHLPP2 (0.45) POLBRAB9ANPC1DRD2MEN1
SCHEMBL19555371 0.83 TDP1 (0.50) POLBRAB9ANPC1ALDH1A1HPGD
SCHEMBL12001994 0.80 RAB9A (0.41) POLBRAB9ANPC1DRD2MEN1
SCHEMBL1221521 0.80 ALDH1A1 (0.54) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL16982007 0.80 RAB9A (0.46) POLBRAB9ANPC1MEN1KMT2A
SCHEMBL2531849 0.78 HDAC4 (0.46) DRD2MEN1KMT2AALDH1A1HPGD
SCHEMBL3034317 0.78 MAPT (0.53) POLBMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL16982002 0.75 ESRRG (0.40) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL23146101 0.75 HDAC4 (0.48) DRD2ALDH1A1HDAC1HDAC6
SCHEMBL15208211 0.75 HDAC4 (0.48) DRD2HDAC1HDAC6

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 7 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
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US 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 POLB 1340/4885RAB9A 3886/4885NPC1 2361/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 POLB 4329/4885RAB9A 2273/4885NPC1 2922/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 POLB 4329/4885RAB9A 2273/4885NPC1 2922/4885

“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.