SCHEMBL95294

SCHEMBL95294

[CH2]c1ccc(C(=O)N2CCN(Cc3ccncc3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.67
CYP3A4 P08684 3/20 0.65
CYP2D6 P10635 2/20 0.65
CYP2C9 P11712 2/20 0.65
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
HIF1A Q16665 1/20 0.65
KDM4E B2RXH2 3/20 0.64
ALDH1A1 P00352 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
POLB P06746 1/20 0.64
THRB P10828 2/20 0.61
TSHR P16473 2/20 0.57
CYP2C19 P33261 1/20 0.57

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
SCHEMBL18754030 0.86 LSS (0.67) LSSCYP3A4CYP2D6CYP2C9MEN1
SCHEMBL12082893 0.86 KDM4E (0.85) LSSCYP3A4CYP2D6CYP2C9MEN1
SCHEMBL94316 0.84 KDM4E (0.61) MEN1KMT2AKDM4EALDH1A1
SCHEMBL2947765 0.83 CYP3A4 (0.65) LSSCYP3A4CYP2D6CYP2C9MEN1
SCHEMBL27759916 0.79 KDM4E (0.62) LSSCYP3A4CYP2D6CYP2C9MEN1
SCHEMBL95194 0.78 MEN1 (0.50) MEN1KMT2AKDM4EALDH1A1
SCHEMBL95296 0.78 SMN1; SMN2 (0.67) CYP3A4CYP2D6CYP2C9MEN1KMT2A
SCHEMBL95589 0.77 ALDH1A1 (0.77) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL10856726 0.77 KDM4E (0.65) LSSCYP3A4CYP2D6CYP2C9MEN1
SCHEMBL13974784 0.77 RORC (0.65) LSSCYP3A4CYP2D6CYP2C9MEN1

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 LSS 2327/4885CYP3A4 3412/4885CYP2D6 3834/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 LSS 1418/4885CYP3A4 953/4885CYP2D6 1754/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 LSS 1418/4885CYP3A4 953/4885CYP2D6 1754/4885

“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.