SCHEMBL1474280

SCHEMBL1474280

COc1ccc(NCCNC(=O)c2cc(-c3ccco3)on2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.72
KMT2A Q03164 5/20 0.72
MEN1 O00255 4/20 0.72
SMN1; SMN2 Q16637 10/20 0.65
NPC1 O15118 10/20 0.65
RAB9A P51151 10/20 0.65
HPGD P15428 8/20 0.65
TP53 P04637 3/20 0.65
LMNA P02545 2/20 0.65
GAA P10253 1/20 0.65
HTT P42858 2/20 0.61
MAPT P10636 1/20 0.61
KLK7 P49862 1/20 0.58
TSHR P16473 1/20 0.55
KDM4E B2RXH2 3/20 0.55
HSD17B10 Q99714 3/20 0.55
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54

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
SCHEMBL1474191 0.87 NPC1 (0.72) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL1475635 0.86 ALDH1A1 (0.80) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL1477382 0.86 ALDH1A1 (0.70) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL1475384 0.85 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL15190401 0.85 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL17318561 0.84 MEN1 (1.00) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL16373568 0.82 RAB9A (0.77) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL1477503 0.80 NPC1 (0.69) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL1475213 0.80 ALDH1A1 (0.74) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL1475255 0.79 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1

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 7 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 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
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 ALDH1A1 706/4885KMT2A 4661/4885MEN1 4845/4885

“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.