SCHEMBL95518

SCHEMBL95518

[CH2]c1ccc(C(=O)N(C)CCc2ccccn2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.65
MEN1 O00255 2/20 0.65
HIF1A Q16665 1/20 0.51
HSD11B1 P28845 1/20 0.51
KDM4E B2RXH2 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 2/20 0.46
TLR9 Q9NR96 1/20 0.46
TLR8 Q9NR97 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
PARP1 P09874 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PTGFR P43088 1/20 0.46
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
POLB P06746 1/20 0.45
ATM Q13315 1/20 0.44

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
SCHEMBL31298063 0.89 MEN1 (0.67) KMT2AMEN1HIF1AHSD11B1KDM4E
SCHEMBL12835154 0.88 MEN1 (0.67) KMT2AMEN1HIF1AHSD11B1KDM4E
SCHEMBL16359225 0.86 KMT2A (0.65) KMT2AMEN1HIF1AHSD11B1KDM4E
SCHEMBL3300374 0.86 MEN1 (0.65) KMT2AMEN1HIF1AHSD11B1KDM4E
SCHEMBL17886691 0.84 MEN1 (0.66) KMT2AMEN1HIF1AHSD11B1KDM4E
SCHEMBL11628586 0.83 KMT2A (0.71) KMT2AMEN1HIF1AHSD11B1KDM4E
SCHEMBL16105732 0.81 KMT2A (0.59) KMT2AMEN1HIF1AHSD11B1KDM4E
SCHEMBL4703240 0.80 MEN1 (0.58) KMT2AMEN1HIF1AHSD11B1KDM4E
SCHEMBL424284 0.80 HIF1A (0.58) KMT2AMEN1HIF1AHSD11B1KDM4E
SCHEMBL18773935 0.79 KDM4E (0.64) KMT2AMEN1HIF1AHSD11B1KDM4E

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 9 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

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 KMT2A 1059/4885MEN1 4401/4885HIF1A 775/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 KMT2A 2732/4885MEN1 3912/4885HIF1A 1411/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 KMT2A 2732/4885MEN1 3912/4885HIF1A 1411/4885

“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.