SCHEMBL5773486

SCHEMBL5773486

CCOP(=O)(Cc1ccc(NC(=O)CCc2cnoc2-c2ccc([N+](=O)[O-])cc2)cc1)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.41
KMT2A Q03164 8/20 0.41
MEN1 O00255 7/20 0.41
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 2/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
YES1 P07947 1/20 0.41
KDR P35968 1/20 0.41
JAK3 P52333 1/20 0.41
HTT P42858 2/20 0.40
HPGD P15428 1/20 0.40
PTK2 Q05397 1/20 0.40
ALDH1A1 P00352 6/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 2/20 0.38
THRB P10828 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL5774259 0.91 ALDH1A1 (0.42) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL5776429 0.88 LTA4H (0.46) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL5771359 0.88 MEN1 (0.40) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL5777451 0.88 MEN1 (0.41) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL5777014 0.88 MEN1 (0.46) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL5771726 0.88 LTA4H (0.46) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL5776175 0.87 LTA4H (0.38) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL5776211 0.86 LTA4H (0.37) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL5773001 0.86 LTA4H (0.38) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL5775867 0.85 TP53 (0.46) MAPTLMNASMN1; SMN2TP53HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 EP 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 (2 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-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR MAPT 4701/4885KMT2A 3907/4885MEN1 2811/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MAPT 4763/4885KMT2A 2906/4885MEN1 2072/4885

“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.