SCHEMBL1476492

SCHEMBL1476492

O=C(NCc1ccncc1)OCc1cc(-c2ccco2)on1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.56
RAB9A P51151 7/20 0.56
ALDH1A1 P00352 6/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
KMT2A Q03164 3/20 0.53
HTT P42858 3/20 0.53
MEN1 O00255 2/20 0.53
KDM4E B2RXH2 1/20 0.53
PKM P14618 1/20 0.53
MAPT P10636 3/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
POLB P06746 3/20 0.48
EPHX2 P34913 1/20 0.47
ADORA2A P29274 2/20 0.47
ADORA1 P30542 2/20 0.47
ROCK2 O75116 1/20 0.46
GAA P10253 2/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL15190389 0.82 ALDH1A1 (0.58) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL1474842 0.82 ALDH1A1 (0.81) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL1475114 0.80 EPHX2 (0.54) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL1474858 0.78 EPHX2 (0.52) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL1474947 0.77 ALDH1A1 (0.57) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL1476488 0.76 NPC1 (0.54) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL1178320 0.73 ALDH1A1 (0.82) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL15190045 0.73 ALDH1A1 (0.70) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL1474584 0.72 EPHX2 (0.51) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL1474586 0.72 EPHX2 (0.51) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A

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 13 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-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK Holdings Co., Ltd. (KR) 2008-09-24 EP claimed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 WO claimed
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP 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-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
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 NPC1 2242/4885RAB9A 2013/4885ALDH1A1 706/4885

“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.