SCHEMBL94420

SCHEMBL94420

[CH2]c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.74
KMT2A Q03164 4/20 0.74
POLB P06746 2/20 0.74
SLC6A7 Q99884 2/20 0.74
TSHR P16473 4/20 0.67
LMNA P02545 4/20 0.67
USP2 O75604 2/20 0.67
MAPT P10636 1/20 0.67
MAPK1 P28482 1/20 0.67
HSD17B10 Q99714 1/20 0.65
CA12 O43570 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CA7 P43166 1/20 0.65
CA9 Q16790 1/20 0.65
CA14 Q9ULX7 1/20 0.65
ALDH1A1 P00352 3/20 0.63
DRD2 P14416 1/20 0.62
HTR2A P28223 1/20 0.62

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
SCHEMBL10721777 0.92 MEN1 (0.87) MEN1KMT2APOLBSLC6A7TSHR
SCHEMBL8595777 0.88 POLB (0.87) MEN1KMT2APOLBSLC6A7TSHR
SCHEMBL8161635 0.85 SLC6A7 (1.00) MEN1KMT2APOLBSLC6A7TSHR
SCHEMBL95296 0.84 SMN1; SMN2 (0.67) MEN1KMT2APOLBSLC6A7TSHR
SCHEMBL95503 0.84 HSP90AA1 (0.74) MEN1KMT2ASLC6A7TSHRLMNA
SCHEMBL3276407 0.84 MEN1 (0.74) MEN1KMT2APOLBSLC6A7TSHR
SCHEMBL10721885 0.84 POLB (0.74) MEN1KMT2APOLBSLC6A7TSHR
SCHEMBL1711050 0.84 MEN1 (0.74) MEN1KMT2APOLBSLC6A7TSHR
SCHEMBL6705171 0.84 LMNA (0.88) MEN1KMT2APOLBSLC6A7TSHR
SCHEMBL94576 0.84 SMN1; SMN2 (0.68) TSHRLMNAUSP2MAPTCA12

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 MEN1 4401/4885KMT2A 1059/4885POLB 1340/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 MEN1 3912/4885KMT2A 2732/4885POLB 4329/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 MEN1 3912/4885KMT2A 2732/4885POLB 4329/4885

“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.