SCHEMBL1178090

SCHEMBL1178090

O=C(NCCCn1ccnc1)c1cc(-c2cccc(F)c2)on1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.80
LMNA P02545 7/20 0.80
NPC1 O15118 3/20 0.80
SMN1; SMN2 Q16637 3/20 0.80
HTT P42858 2/20 0.80
HIF1A Q16665 1/20 0.80
ALDH1A1 P00352 2/20 0.71
GAA P10253 1/20 0.71
MAPK1 P28482 1/20 0.68
KDM4E B2RXH2 3/20 0.67
NFKB1 P19838 1/20 0.67
NFKB2 Q00653 1/20 0.67
RELA Q04206 1/20 0.67
HSD17B10 Q99714 2/20 0.62
GLA P06280 1/20 0.62
QPCT Q16769 1/20 0.56
POLB P06746 2/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
TSHR P16473 1/20 0.52

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
SCHEMBL1474942 0.89 RAB9A (1.00) RAB9ALMNANPC1SMN1; SMN2HTT
SCHEMBL1179061 0.89 LMNA (0.81) RAB9ALMNANPC1SMN1; SMN2HTT
SCHEMBL1179277 0.89 LMNA (1.00) RAB9ALMNANPC1SMN1; SMN2HTT
SCHEMBL1178087 0.88 RAB9A (0.80) RAB9ALMNANPC1SMN1; SMN2HTT
SCHEMBL1179157 0.88 RAB9A (0.80) RAB9ALMNANPC1SMN1; SMN2HTT
SCHEMBL1474546 0.88 RAB9A (0.76) RAB9ALMNANPC1SMN1; SMN2HTT
SCHEMBL1476364 0.86 LMNA (0.83) RAB9ALMNANPC1SMN1; SMN2HTT
SCHEMBL30087234 0.86 LMNA (0.83) RAB9ALMNANPC1SMN1; SMN2HTT
SCHEMBL1178656 0.86 LMNA (1.00) RAB9ALMNANPC1SMN1; SMN2HTT
SCHEMBL1474399 0.86 LMNA (0.86) RAB9ALMNANPC1SMN1; SMN2HTT

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
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-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 RAB9A 2717/4885LMNA 2579/4885NPC1 1805/4885
US-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 RAB9A 2013/4885LMNA 2934/4885NPC1 2242/4885

“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.