SCHEMBL95590

SCHEMBL95590

CC(C)([O])CC(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
KMT2A Q03164 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MAPK1 P28482 2/20 0.54
MEN1 O00255 2/20 0.54
CYP3A4 P08684 2/20 0.54
HPGD P15428 2/20 0.54
KDM4E B2RXH2 2/20 0.54
ALOX15 P16050 1/20 0.54
CES1 P23141 1/20 0.54
ALDH1A1 P00352 5/20 0.50
HIF1A Q16665 3/20 0.50
GSK3B P49841 2/20 0.50
PTPN1 P18031 2/20 0.50
TRPA1 O75762 1/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 4/20 0.48
LMNA P02545 3/20 0.48

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
SCHEMBL3242580 0.84 MAPT (0.56) MAPTKMT2ATDP1SMN1; SMN2MAPK1
SCHEMBL379725 0.83 KMT2A (0.54) MAPTKMT2ATDP1SMN1; SMN2MAPK1
SCHEMBL95591 0.83 KMT2A (0.54) MAPTKMT2ATDP1SMN1; SMN2MAPK1
SCHEMBL19619388 0.81 MAPT (0.52) MAPTKMT2ATDP1SMN1; SMN2MAPK1
SCHEMBL3754394 0.81 MAPT (0.52) MAPTKMT2ATDP1SMN1; SMN2MAPK1
SCHEMBL8531622 0.81 MAPT (0.52) MAPTKMT2ATDP1SMN1; SMN2MAPK1
SCHEMBL11589244 0.81 ALDH1A1 (0.54) MAPTKMT2ATDP1SMN1; SMN2MAPK1
SCHEMBL23064499 0.79 MAPT (0.50) MAPTKMT2ATDP1SMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL10431496 0.79 MAPT (0.50) MAPTKMT2ATDP1SMN1; SMN2MAPK1
SCHEMBL10636565 0.79 KMT2A (0.50) MAPTKMT2ATDP1SMN1; SMN2MAPK1

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 15 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-1221440-B1 Benzoheterocyclic derivatives useful as vasopressin or oxytocin modulators OTSUKA PHARMA CO LTD (JP) 2007-04-25 EP disclosed
US-6642223-B2 A benzoazepin or benzodiazepin derivatives, shows excellent anti-vasopressin activity, vasopressin agonistic activity and oxytocin antagonistic activity, and are useful as antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2003-11-04 US disclosed
EP-1221440-A1 Benzoheterocyclic derivatives useful as vasopressin or oxytocin modulators Otsuka Pharmaceutical Company, Limited (JP) 2002-07-10 EP disclosed
US-20020049194-A1 Benzoheterocyclic derivatives OGAWA HIDENORI (JP) 2002-04-25 US disclosed
US-6335327-B1 Benzoheterocyclic derivatives OTSUKA PHARMACEUTICALS CO., LTD. (JP) 2002-01-01 US disclosed
US-6096735-A Benzoheterocyclic derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-08-01 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 (4 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 MAPT 4112/4885KMT2A 1059/4885TDP1 3588/4885
US-20020049194-A1 Benzoheterocyclic derivatives AVPR2, AVPR1A, AVPR1B MAPT 3643/4885KMT2A 4490/4885TDP1 3264/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 MAPT 4773/4885KMT2A 2732/4885TDP1 4079/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 MAPT 4773/4885KMT2A 2732/4885TDP1 4079/4885

“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.