SCHEMBL4395587

SCHEMBL4395587

COc1cccc(N2CCN(CC(N)=O)CC2)c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
GFER P55789 3/20 0.63
MAPT P10636 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
HTR1A P08908 5/20 0.63
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.62
DRD4 P21917 1/20 0.62
KCNH2 Q12809 2/20 0.62
DRD2 P14416 1/20 0.62
USP2 O75604 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
LMNA P02545 1/20 0.57
KDM4E B2RXH2 1/20 0.56
POLB P06746 1/20 0.56

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
SCHEMBL4412154 0.87 LMNA (0.56) ALDH1A1GFERMAPTSMN1; SMN2HTR1A
Hydrochloric Acid SCHEMBL1373869 0.86 GFER (0.67) ALDH1A1GFERMAPTSMN1; SMN2KMT2A
SCHEMBL3198591 0.85 KCNH2 (0.73) MAPTHTR1ADRD4KCNH2DRD2
Hydrochloric Acid SCHEMBL3212431 0.84 KCNH2 (0.71) MAPTHTR1ADRD4KCNH2DRD2
SCHEMBL27895258 0.84 KCNH2 (0.76) HTR1ADRD4KCNH2DRD2
SCHEMBL4393525 0.84 MEN1 (0.64) GFERMAPTHTR1AKMT2AMEN1
SCHEMBL2661540 0.82 ADRA2C (0.54) ALDH1A1MAPTSMN1; SMN2HTR1AKMT2A
SCHEMBL27615815 0.82 SIGMAR1 (0.68) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL1383233 0.82 SIGMAR1 (0.68) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL4395782 0.82 MAPT (0.60) ALDH1A1GFERMAPTSMN1; SMN2USP2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP claimed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US claimed
EP-1971600-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK Holdings Co., Ltd. (KR) 2008-09-24 EP claimed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 WO claimed
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP disclosed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US disclosed
EP-1971600-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK Holdings Co., Ltd. (KR) 2008-09-24 EP disclosed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 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 (1 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-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 ALDH1A1 706/4885GFER 2619/4885MAPT 2497/4885

“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.