SCHEMBL95953

SCHEMBL95953

[CH2]CCCn1nnnc1C(C)CC

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
SLC6A2 P23975 9/20 0.32
SLC6A3 Q01959 9/20 0.32
SLC6A4 P31645 6/20 0.32
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
LMNA P02545 2/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
TSHR P16473 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
SCHEMBL95314 0.73 MAPK1 (0.36) MAPK1KMT2AMEN1SLC6A2SLC6A3
SCHEMBL20419209 0.72 ALDH1A1 (0.38) ALDH1A1HTTPOLBTSHR
SCHEMBL8456024 0.72 ALDH1A1 (0.38) ALDH1A1HTTPOLBTSHR
SCHEMBL4405709 0.72 KMT2A (0.41) MAPK1KMT2AMEN1ALDH1A1HTT
SCHEMBL4407954 0.70 SLC9A1 (0.40) KMT2AMEN1SLC6A2SLC6A3SLC6A4
SCHEMBL4408634 0.69 SLC9A1 (0.41) KMT2AMEN1SLC6A2SLC6A3SLC6A4
SCHEMBL3033831 0.68 ALDH1A1 (0.36) KMT2AMEN1ALDH1A1HTTLMNA
SCHEMBL4405271 0.67 CYP1A2 (0.42) MAPK1KMT2AMEN1ALDH1A1LMNA
SCHEMBL3937117 0.66 SLC9A1 (0.36) KMT2AMEN1HTT
SCHEMBL96673 0.65 IDE (0.38) KMT2AMEN1ALDH1A1HTT

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 7 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
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US 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 1059/4885MEN1 4401/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 MAPK1 982/4885KMT2A 2732/4885MEN1 3912/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 MAPK1 982/4885KMT2A 2732/4885MEN1 3912/4885

“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.