SCHEMBL1179031

SCHEMBL1179031

O=C(NCCCn1ccnc1)c1cc(-c2ccccc2F)on1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.75
HSD17B10 Q99714 1/20 0.75
LMNA P02545 6/20 0.74
RAB9A P51151 4/20 0.74
NPC1 O15118 2/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
HTT P42858 1/20 0.74
HIF1A Q16665 1/20 0.74
KDM4E B2RXH2 2/20 0.68
NFKB1 P19838 1/20 0.68
NFKB2 Q00653 1/20 0.68
RELA Q04206 1/20 0.68
ALDH1A1 P00352 2/20 0.66
GAA P10253 1/20 0.66
CYP3A4 P08684 2/20 0.61
MAPK1 P28482 1/20 0.61
CYP2C19 P33261 1/20 0.60
TSHR P16473 2/20 0.54
HSP90AA1 P07900 1/20 0.54
HSP90AB1 P08238 1/20 0.54

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
SCHEMBL1179238 0.94 HSD17B10 (0.66) GLAHSD17B10LMNARAB9ANPC1
SCHEMBL1474961 0.89 LMNA (0.76) GLAHSD17B10LMNARAB9ANPC1
SCHEMBL1178569 0.89 HSD17B10 (0.79) GLAHSD17B10LMNARAB9ANPC1
SCHEMBL1179277 0.85 LMNA (1.00) GLAHSD17B10LMNARAB9ANPC1
SCHEMBL1178585 0.85 HSD17B10 (1.00) GLAHSD17B10LMNARAB9ANPC1
SCHEMBL15190510 0.85 GLA (0.57) GLAHSD17B10LMNARAB9ANPC1
SCHEMBL1474480 0.85 GLA (0.70) GLAHSD17B10LMNARAB9ANPC1
SCHEMBL1179061 0.84 LMNA (0.81) GLAHSD17B10LMNARAB9ANPC1
SCHEMBL1178090 0.83 RAB9A (0.80) GLAHSD17B10LMNARAB9ANPC1
SCHEMBL1475658 0.83 LMNA (0.76) GLAHSD17B10LMNARAB9ANPC1

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-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
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP 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-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
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 GLA 1924/4885HSD17B10 744/4885LMNA 2579/4885
US-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 GLA 1101/4885HSD17B10 2297/4885LMNA 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.