SCHEMBL96813

SCHEMBL96813

CCCCCCc1ccccc1-c1nnc(CCCCCCO)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 3/20 0.44
APAF1 O14727 3/20 0.44
HTT P42858 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 1/20 0.44
STAT6 P42226 1/20 0.44
HIF1A Q16665 1/20 0.44
LIPG Q9Y5X9 1/20 0.42
USP2 O75604 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HPGD P15428 2/20 0.41
ESR1 P03372 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41

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
SCHEMBL96221 0.90 NOTUM (0.48) MAPTKDM4EMEN1APAF1HTT
SCHEMBL96812 0.87 MAPT (0.44) MAPTKDM4EMEN1APAF1HTT
SCHEMBL96220 0.84 MAPT (0.46) MAPTKDM4EMEN1APAF1HTT
SCHEMBL95465 0.84 CXCR4 (0.43) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL14424568 0.79 MAPT (0.45) MAPTKDM4EMEN1APAF1HTT
SCHEMBL11821519 0.78 EGFR (0.50) MAPTKDM4EMEN1APAF1HTT
SCHEMBL12419468 0.77 LIPG (0.49) MAPTKDM4EMEN1APAF1HTT
SCHEMBL97645 0.77 PPARA (0.50) KDM4EMEN1HTTKMT2ALMNA
SCHEMBL96694 0.75 SPHK2 (0.56) LIPGSPHK1NOTUM
SCHEMBL6743731 0.75 ALDH1A1 (0.56) MAPTKDM4EMEN1APAF1HTT

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
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 MAPT 4112/4885KDM4E 1125/4885MEN1 4401/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 MAPT 4773/4885KDM4E 3919/4885MEN1 3912/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 MAPT 4773/4885KDM4E 3919/4885MEN1 3912/4885

“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.