SCHEMBL95314

SCHEMBL95314

[CH2]CCn1nnnc1C(C)C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.36
KMT2A Q03164 3/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 6/20 0.34
TSHR P16473 4/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.31
SLC6A2 P23975 3/20 0.31
SLC6A3 Q01959 3/20 0.31
SLC6A4 P31645 2/20 0.31
MEN1 O00255 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HRH4 Q9H3N8 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL24142447 0.80 MAPK1 (0.36) MAPK1KMT2ALMNAALDH1A1TSHR
SCHEMBL10197492 0.77 UBE2M (0.40) MAPK1KMT2ALMNAALDH1A1TSHR
SCHEMBL24142417 0.77 MAPK1 (0.35) MAPK1KMT2ALMNAALDH1A1TSHR
SCHEMBL4407149 0.77 ALDH1A1 (0.45) MAPK1KMT2ALMNAALDH1A1TSHR
SCHEMBL4408634 0.76 SLC9A1 (0.41) KMT2ASLC6A2SLC6A3SLC6A4MEN1
SCHEMBL4544043 0.75 CNR2 (0.41) MAPK1KMT2ALMNAALDH1A1TSHR
SCHEMBL12141919 0.74 MAPK1 (0.42) MAPK1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL95953 0.73 MAPK1 (0.33) MAPK1KMT2ALMNAALDH1A1TSHR
SCHEMBL4411106 0.72 LMNA (0.31) MAPK1KMT2ALMNAALDH1A1TSHR
SCHEMBL20711369 0.71 ALDH1A1 (0.32) MAPK1KMT2ALMNAALDH1A1SLC6A2

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 11 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-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 MAPK1 173/4885KMT2A 1059/4885LMNA 3740/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 MAPK1 982/4885KMT2A 2732/4885LMNA 4860/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 MAPK1 982/4885KMT2A 2732/4885LMNA 4860/4885

“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.