SCHEMBL94576

SCHEMBL94576

[CH2]c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.68
ALDH1A1 P00352 3/20 0.68
HTT P42858 2/20 0.68
NPSR1 Q6W5P4 2/20 0.68
TSHR P16473 2/20 0.68
MAPT P10636 2/20 0.66
LMNA P02545 2/20 0.64
HTR1A P08908 1/20 0.61
HTR2A P28223 1/20 0.61
HTR7 P34969 1/20 0.61
HTR6 P50406 1/20 0.61
GAA P10253 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA9 Q16790 1/20 0.59
USP2 O75604 1/20 0.59

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
SCHEMBL17229219 0.87 ALDH1A1 (0.75) SMN1; SMN2ALDH1A1HTTNPSR1TSHR
SCHEMBL9321484 0.86 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1HTTNPSR1TSHR
SCHEMBL94420 0.84 MEN1 (0.74) ALDH1A1TSHRMAPTLMNAHTR2A
SCHEMBL27875601 0.79 HTR1A (0.71) SMN1; SMN2ALDH1A1HTTHTR1AHTR2A
SCHEMBL6705171 0.78 LMNA (0.88) SMN1; SMN2ALDH1A1NPSR1TSHRMAPT
SCHEMBL9639987 0.77 PKM (0.81) SMN1; SMN2ALDH1A1HTTNPSR1TSHR
SCHEMBL5537738 0.77 HTR1A (0.73) SMN1; SMN2ALDH1A1HTR1AHTR2AHTR7
SCHEMBL1458090 0.77 HTR1A (0.73) SMN1; SMN2ALDH1A1TSHRHTR1AHTR2A
SCHEMBL12893640 0.77 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1HTTNPSR1TSHR
SCHEMBL16276190 0.77 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1HTTNPSR1TSHR

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 12 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
CN-101489555-A Nf-kappa OTSUKA PHARMA CO LTD (JP) 2009-07-22 CN 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 3998/4885ALDH1A1 2948/4885HTT 4495/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 SMN1; SMN2 3084/4885ALDH1A1 2458/4885HTT 4175/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 SMN1; SMN2 3084/4885ALDH1A1 2458/4885HTT 4175/4885

“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.