SCHEMBL1474976

SCHEMBL1474976

O=C(NCCc1ccncc1)c1cc(-c2ccc([N+](=O)[O-])cc2)on1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.61
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
MAPT P10636 5/20 0.51
LMNA P02545 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TP53 P04637 2/20 0.49
THRB P10828 1/20 0.49
MAPK1 P28482 1/20 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
SCHEMBL1476525 0.89 MAPT (0.59) FAAHMAPTLMNAALDH1A1HPGD
SCHEMBL1473989 0.88 FAAH (0.60) FAAHMAPTLMNAALDH1A1HPGD
SCHEMBL1475159 0.85 FAAH (0.68) FAAHHDAC3HDAC4HDAC1HDAC7
SCHEMBL1475769 0.84 HDAC6 (0.68) FAAHHDAC3HDAC4HDAC1HDAC7
SCHEMBL1474540 0.84 FAAH (0.67) FAAHHDAC3HDAC4HDAC1HDAC7
SCHEMBL1474935 0.84 FAAH (0.81) FAAHHDAC3HDAC1HDAC2HDAC10
SCHEMBL15190329 0.83 MAPT (0.44) FAAHMAPTLMNAALDH1A1MAPK1
SCHEMBL1473881 0.82 FAAH (0.73) FAAHHDAC6MAPTLMNAALDH1A1
SCHEMBL1475291 0.81 NPC1 (0.71) FAAHHDAC3HDAC4HDAC1HDAC7
SCHEMBL8825514 0.80 MAPT (0.54) HDAC1HDAC2HDAC8HDAC6MAPT

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 5 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-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 FAAH 4712/4885HDAC3 849/4885HDAC4 1667/4885

“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.