SCHEMBL1178652

SCHEMBL1178652

O=C(NCCCn1ccnc1)c1cc(-c2ccc([N+](=O)[O-])cc2)on1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.75
ALDH1A1 P00352 3/20 0.75
GAA P10253 1/20 0.75
RAB9A P51151 4/20 0.75
NPC1 O15118 3/20 0.75
SMN1; SMN2 Q16637 3/20 0.75
HTT P42858 1/20 0.75
HIF1A Q16665 1/20 0.75
KDM4E B2RXH2 3/20 0.72
MAPK1 P28482 1/20 0.67
NFKB1 P19838 1/20 0.63
NFKB2 Q00653 1/20 0.63
RELA Q04206 1/20 0.63
GLA P06280 1/20 0.59
HSD17B10 Q99714 1/20 0.59
MAOA P21397 1/20 0.57
MAOB P27338 1/20 0.57
QPCT Q16769 1/20 0.57
CYP19A1 P11511 1/20 0.54
MAPT P10636 2/20 0.53

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
SCHEMBL1179065 0.90 RAB9A (0.75) LMNAALDH1A1GAARAB9ANPC1
SCHEMBL1476641 0.87 LMNA (0.83) LMNAALDH1A1GAARAB9ANPC1
SCHEMBL1474399 0.87 LMNA (0.86) LMNAALDH1A1GAARAB9ANPC1
SCHEMBL1179061 0.86 LMNA (0.81) LMNAALDH1A1GAARAB9ANPC1
SCHEMBL1177752 0.86 LMNA (0.81) LMNAALDH1A1GAARAB9ANPC1
SCHEMBL1178691 0.86 LMNA (0.81) LMNAALDH1A1GAARAB9ANPC1
SCHEMBL1178247 0.86 LMNA (1.00) LMNAALDH1A1GAARAB9ANPC1
SCHEMBL1179277 0.86 LMNA (1.00) LMNAALDH1A1GAARAB9ANPC1
SCHEMBL15190285 0.85 LMNA (0.55) LMNAALDH1A1GAARAB9ANPC1
SCHEMBL1476977 0.84 LMNA (0.65) LMNAALDH1A1GAARAB9ANPC1

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-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-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

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 LMNA 2579/4885ALDH1A1 957/4885GAA 2021/4885
US-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 LMNA 2934/4885ALDH1A1 706/4885GAA 1611/4885

“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.