SCHEMBL1474858

SCHEMBL1474858

O=C(CCc1ccncc1)NCc1cc(-c2ccco2)on1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.52
ALDH1A1 P00352 7/20 0.50
NPC1 O15118 6/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
RAB9A P51151 5/20 0.50
HTT P42858 4/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
KDM4E B2RXH2 1/20 0.50
PKM P14618 1/20 0.50
ROCK2 O75116 1/20 0.49
MAPT P10636 4/20 0.47
MAPK1 P28482 1/20 0.47
HPGD P15428 4/20 0.45
ALOX15 P16050 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45
POLB P06746 3/20 0.44

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
SCHEMBL1475114 0.88 EPHX2 (0.54) EPHX2ALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL1474513 0.88 NPC1 (0.64) EPHX2ALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL1474923 0.84 ALDH1A1 (0.49) ALDH1A1NPC1SMN1; SMN2RAB9AHTT
SCHEMBL1475137 0.83 HPGD (0.53) EPHX2ALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL1475165 0.79 ALDH1A1 (0.62) EPHX2ALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL1476492 0.78 NPC1 (0.56) EPHX2ALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL1178320 0.77 ALDH1A1 (0.82) ALDH1A1NPC1SMN1; SMN2RAB9AHTT
SCHEMBL4791082 0.77 ALDH1A1 (0.45) EPHX2ALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL1474584 0.76 EPHX2 (0.51) EPHX2ALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL1474586 0.76 EPHX2 (0.51) EPHX2ALDH1A1NPC1SMN1; SMN2RAB9A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP claimed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US claimed
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-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
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US disclosed
EP-1971600-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK Holdings Co., Ltd. (KR) 2008-09-24 EP disclosed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 WO 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 EPHX2 2685/4885ALDH1A1 706/4885NPC1 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.