SCHEMBL1179559

SCHEMBL1179559

O=C(NCCCn1cncn1)c1cc(-c2ccsc2)on1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
LMNA P02545 7/20 0.51
RAB9A P51151 5/20 0.51
HIF1A Q16665 4/20 0.51
HTT P42858 4/20 0.51
NPC1 O15118 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 3/20 0.49
GAA P10253 1/20 0.49
KDM4E B2RXH2 2/20 0.47
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MAPK1 P28482 2/20 0.46
GLA P06280 1/20 0.46
TSHR P16473 1/20 0.46
HDAC6 Q9UBN7 1/20 0.44
TP53 P04637 1/20 0.44
FAAH O00519 1/20 0.43

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
SCHEMBL1179133 0.94 HDAC3 (0.48) HDAC3HDAC1LMNARAB9AHIF1A
SCHEMBL1178853 0.84 LMNA (0.55) LMNARAB9AHIF1AHTTNPC1
SCHEMBL1178843 0.84 HDAC6 (0.64) HDAC3HDAC1LMNARAB9AHIF1A
SCHEMBL15190412 0.84 ALDH1A1 (0.41) HDAC3HDAC1LMNARAB9AHIF1A
SCHEMBL1178690 0.84 LMNA (0.51) LMNARAB9AHIF1AHTTNPC1
SCHEMBL1178450 0.82 RAB9A (0.69) LMNARAB9AHIF1AHTTNPC1
SCHEMBL1178912 0.82 LMNA (0.76) HDAC3HDAC1LMNARAB9AHIF1A
SCHEMBL27176287 0.81 HDAC3 (0.55) HDAC3HDAC1LMNARAB9AHIF1A
SCHEMBL1178492 0.80 NPC1 (0.60) LMNARAB9AHIF1AHTTNPC1
SCHEMBL17117172 0.79 HIF1A (0.69) HDAC3HDAC1LMNARAB9AHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518978-B2 Pharmaceutical composition for prevention and treatment of restenosis comprising isoxazole derivatives SK BIOPHARMACEUTICALS CO., LTD. (KR) 2013-08-27 US claimed
US-7915297-B2 Isoxazole derivatives and use thereof SK HOLDINGS CO., LTD. (KR) 2011-03-29 US claimed
US-8518978-B2 Pharmaceutical composition for prevention and treatment of restenosis comprising isoxazole derivatives SK BIOPHARMACEUTICALS CO., LTD. (KR) 2013-08-27 US disclosed
US-7915297-B2 Isoxazole derivatives and use thereof SK HOLDINGS CO., LTD. (KR) 2011-03-29 US disclosed
US-7915297-B2 Isoxazole derivatives and use thereof SK HOLDINGS CO., LTD. (KR) 2011-03-29 US disclosed
US-20110028506-A1 Pharmaceutical Composition For Preventintion And Treatment Of Restenosis Comprising Isoxazole Derivatives SK BIOPHARMACEUTICALS CO., LTD. (KR) 2011-02-03 US disclosed
US-20110028506-A1 Pharmaceutical Composition For Preventintion And Treatment Of Restenosis Comprising Isoxazole Derivatives SK BIOPHARMACEUTICALS CO., LTD. (KR) 2011-02-03 US disclosed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US 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 (2 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-20110028506-A1 Pharmaceutical Composition For Preventintion And Treatment Of Restenosis Comprising Isoxazole Derivatives PTGIR, GPR119, PTGIS HDAC3 1542/4885HDAC1 2279/4885LMNA 2579/4885
US-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 HDAC3 849/4885HDAC1 1750/4885LMNA 2934/4885

“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.