SCHEMBL96458

SCHEMBL96458

[CH2]Oc1cccc2cnccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.54
LMNA P02545 2/20 0.53
KDM4E B2RXH2 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
MAPKAPK2 P49137 1/20 0.53
HTT P42858 2/20 0.49
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
NSD2 O96028 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CACNA2D1 P54289 9/20 0.44
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
BRAF P15056 1/20 0.40
IKBKE Q14164 1/20 0.40
TBK1 Q9UHD2 1/20 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
SCHEMBL96459 0.81 MAPT (0.58) KCNA3LMNAKDM4ECYP1A2CYP3A4
SCHEMBL94801 0.80 KCNA3 (0.61) KCNA3LMNAKDM4ECYP1A2CYP3A4
SCHEMBL419729 0.79 KCNA3 (0.53) KCNA3LMNAKDM4ECYP1A2CYP3A4
SCHEMBL3994903 0.78 KCNA3 (0.51) KCNA3LMNAKDM4ECYP1A2CYP3A4
SCHEMBL96699 0.78 KCNA3 (0.67) KCNA3LMNAKDM4ECYP1A2CYP3A4
SCHEMBL11144866 0.77 KCNA3 (0.61) KCNA3LMNAKDM4ECYP1A2CYP3A4
SCHEMBL21917569 0.77 CACNA2D1 (0.50) KCNA3LMNAKDM4ECYP1A2CYP3A4
SCHEMBL21178262 0.77 KCNA3 (0.50) KCNA3LMNAKDM4ECYP1A2CYP3A4
SCHEMBL18356037 0.77 KCNA3 (0.50) KCNA3LMNAKDM4ECYP1A2CYP3A4
SCHEMBL14251166 0.77 KCNA3 (0.61) KCNA3LMNAKDM4ECYP1A2CYP3A4

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0812839-A1 Irreversible HIV protease inhibitors, compositions containing same and process for the preparation thereof LG Chemical Limited (KR) 1997-12-17 EP claimed
EP-0812857-A1 Irreversible HIV protease inhibitors, compositions containing same and process for the preparation thereof LG Chemical Limited (KR) 1997-12-17 EP claimed
US-5679687-A Irreversible HIV protease inhibitors, compositions containing same and process for the preparation thereof LG CHEMICAL LIMITED (KR) 1997-10-21 US claimed
US-5670517-A MULTISTAGE SYNTHESIS WITH EPOXIDATION, DECARBONYLATION, COUPLING BY AMIDATION THEN DECARBONYLATION LG CHEMICAL LIMITED (KR) 1997-09-23 US claimed
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
US-6642255-B2 Substituted carbocyclic or heterocyclic hydroxamic acid derivatives, e.g., (3R,4S)-N-hydroxy-1-methyl-3-(((4-((2-methyl-4 -quinolinyl)methoxylphenyl)sulfonyl)methyl)-4-piperidinecarboxamide BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-11-04 US disclosed
EP-1355648-A2 1,2-DISUBSTITUTED CYCLIC INHIBITORS OF MATRIX METALLORPROTEASES AND TNF-$g(a) Bristol-Myers Squibb Pharma Company (US) 2003-10-29 EP disclosed
WO-2002055491-A2 1,2-DISUBSTITUTED CYCLIC INHIBITORS OF MATRIX METALLORPROTEASES AND TNF-$g(a) BRISTOL MYERS SQUIBB COMPANY P (US) 2002-07-18 WO disclosed
EP-0812857-A1 Irreversible HIV protease inhibitors, compositions containing same and process for the preparation thereof LG Chemical Limited (KR) 1997-12-17 EP disclosed
US-5679687-A Irreversible HIV protease inhibitors, compositions containing same and process for the preparation thereof LG CHEMICAL LIMITED (KR) 1997-10-21 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 KCNA3 4416/4885LMNA 3740/4885KDM4E 1125/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 KCNA3 4404/4885LMNA 4860/4885KDM4E 3919/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 KCNA3 4404/4885LMNA 4860/4885KDM4E 3919/4885

“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.