SCHEMBL1476977

SCHEMBL1476977

O=C(NCCCn1ccnc1)c1cc(-c2ccc([N+](=O)[O-])o2)on1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.65
RAB9A P51151 4/20 0.65
SMN1; SMN2 Q16637 4/20 0.65
NPC1 O15118 3/20 0.65
HTT P42858 2/20 0.65
HIF1A Q16665 1/20 0.65
ALDH1A1 P00352 4/20 0.63
GAA P10253 1/20 0.63
KDM4E B2RXH2 2/20 0.62
NFKB1 P19838 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
MAPK1 P28482 2/20 0.61
GLA P06280 1/20 0.61
HSD17B10 Q99714 1/20 0.61
CYP19A1 P11511 1/20 0.53
MAPT P10636 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL15190393 0.86 LMNA (0.48) LMNARAB9ASMN1; SMN2NPC1HTT
SCHEMBL1474956 0.85 LMNA (0.74) LMNARAB9ASMN1; SMN2NPC1HTT
SCHEMBL1474189 0.84 LMNA (0.70) LMNARAB9ASMN1; SMN2NPC1HTT
SCHEMBL1178652 0.84 LMNA (0.75) LMNARAB9ASMN1; SMN2NPC1HTT
SCHEMBL1474480 0.82 GLA (0.70) LMNARAB9ASMN1; SMN2NPC1HTT
SCHEMBL1476375 0.82 LMNA (0.66) LMNARAB9ASMN1; SMN2NPC1HTT
SCHEMBL11088469 0.82 SMN1; SMN2 (0.60) LMNASMN1; SMN2NPC1HTTALDH1A1
SCHEMBL1179065 0.81 RAB9A (0.75) LMNARAB9ASMN1; SMN2NPC1HTT
SCHEMBL14953627 0.81 ALDH1A1 (0.55) LMNARAB9ASMN1; SMN2NPC1HTT
SCHEMBL1474399 0.80 LMNA (0.86) LMNARAB9ASMN1; SMN2NPC1HTT

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 6 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 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-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 (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 LMNA 2934/4885RAB9A 2013/4885SMN1; SMN2 3980/4885

“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.