SCHEMBL1178617

SCHEMBL1178617

O=C(NCCOc1ccccn1)c1cc(-c2ccco2)on1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.63
RAB9A P51151 10/20 0.63
NPC1 O15118 8/20 0.63
SMN1; SMN2 Q16637 6/20 0.63
HPGD P15428 3/20 0.63
LMNA P02545 2/20 0.63
TP53 P04637 1/20 0.63
GAA P10253 1/20 0.63
HTT P42858 4/20 0.56
MAPT P10636 2/20 0.54
KMT2A Q03164 7/20 0.53
MEN1 O00255 6/20 0.53
KDM4E B2RXH2 2/20 0.53
PKM P14618 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 2/20 0.48
POLB P06746 1/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48

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
SCHEMBL1474317 0.85 RAB9A (0.69) ALDH1A1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL15190321 0.85 ALDH1A1 (0.44) ALDH1A1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL16373568 0.83 RAB9A (0.77) ALDH1A1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL1178252 0.82 RAB9A (0.71) ALDH1A1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL1178332 0.82 RAB9A (0.71) ALDH1A1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL1475419 0.81 ALDH1A1 (0.64) ALDH1A1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL1475078 0.81 NPC1 (0.72) ALDH1A1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL1474855 0.77 NPC1 (1.00) ALDH1A1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL1476976 0.76 ALDH1A1 (0.58) ALDH1A1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL1474191 0.76 NPC1 (0.72) ALDH1A1RAB9ANPC1SMN1; SMN2HPGD

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-8518978-B2 Pharmaceutical composition for prevention and treatment of restenosis comprising isoxazole derivatives SK BIOPHARMACEUTICALS CO., LTD. (KR) 2013-08-27 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 ALDH1A1 957/4885RAB9A 2717/4885NPC1 1805/4885
US-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 ALDH1A1 706/4885RAB9A 2013/4885NPC1 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.