SCHEMBL95296

SCHEMBL95296

[CH2]c1ccc(C(=O)N2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.67
AKR1C3 P42330 1/20 0.67
CYP3A4 P08684 5/20 0.62
ALDH1A1 P00352 2/20 0.62
GAA P10253 1/20 0.62
CYP2C9 P11712 4/20 0.57
CYP2C19 P33261 3/20 0.57
NAMPT P43490 2/20 0.57
HSD17B10 Q99714 1/20 0.57
CYP2D6 P10635 3/20 0.54
CYP1A2 P05177 1/20 0.54
POLB P06746 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
SLC6A7 Q99884 1/20 0.54
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
HSP90AA1 P07900 1/20 0.50
USP2 O75604 1/20 0.50

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
SCHEMBL6791126 0.85 SMN1; SMN2 (0.67) SMN1; SMN2AKR1C3CYP3A4ALDH1A1GAA
SCHEMBL12082812 0.85 LMNA (0.69) SMN1; SMN2AKR1C3CYP3A4ALDH1A1GAA
SCHEMBL7956657 0.85 SMN1; SMN2 (0.67) SMN1; SMN2AKR1C3CYP3A4ALDH1A1GAA
SCHEMBL94420 0.84 MEN1 (0.74) ALDH1A1HSD17B10POLBMEN1KMT2A
SCHEMBL95759 0.83 NAMPT (0.61) SMN1; SMN2AKR1C3ALDH1A1NAMPTPOLB
SCHEMBL3573771 0.82 SLC6A7 (0.81) SMN1; SMN2AKR1C3CYP3A4ALDH1A1CYP2C9
SCHEMBL7962391 0.82 POLB (0.81) SMN1; SMN2AKR1C3CYP3A4ALDH1A1GAA
SCHEMBL95503 0.82 HSP90AA1 (0.74) SMN1; SMN2ALDH1A1NAMPTMEN1KMT2A
SCHEMBL28292812 0.82 SMN1; SMN2 (0.67) SMN1; SMN2AKR1C3CYP3A4ALDH1A1GAA
SCHEMBL23008892 0.81 SMN1; SMN2 (0.75) SMN1; SMN2AKR1C3CYP3A4ALDH1A1GAA

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 SMN1; SMN2 3998/4885AKR1C3 464/4885CYP3A4 3412/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 SMN1; SMN2 3084/4885AKR1C3 582/4885CYP3A4 953/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 SMN1; SMN2 3084/4885AKR1C3 582/4885CYP3A4 953/4885

“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.