SCHEMBL1474513

SCHEMBL1474513

O=C(CCc1cccnc1)NCc1cc(-c2ccco2)on1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.64
ALDH1A1 P00352 4/20 0.64
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.64
KDM4E B2RXH2 2/20 0.64
PKM P14618 1/20 0.64
HTT P42858 1/20 0.64
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
RAB9A P51151 5/20 0.52
TP53 P04637 2/20 0.52
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ROCK2 O75116 1/20 0.49
EPHX2 P34913 2/20 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
SCHEMBL1474858 0.88 EPHX2 (0.52) NPC1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL1474915 0.85 ALDH1A1 (0.60) NPC1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL1475137 0.81 HPGD (0.53) NPC1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL1475114 0.79 EPHX2 (0.54) NPC1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL1475165 0.78 ALDH1A1 (0.62) NPC1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL1178360 0.78 NPC1 (0.80) NPC1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL30087181 0.78 NPC1 (0.80) NPC1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL1474478 0.78 NPC1 (1.00) NPC1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL1475156 0.76 KMT2A (0.72) NPC1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL1475727 0.76 ALDH1A1 (0.54) NPC1ALDH1A1KMT2AMEN1KDM4E

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 14 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
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

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 2242/4885ALDH1A1 706/4885KMT2A 4661/4885

“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.