SCHEMBL5796433

SCHEMBL5796433

O=C(CCc1cnoc1-c1ccccc1)Nc1ccc(CP2(=O)OCCCO2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
ROCK2 O75116 1/20 0.37
HTT P42858 3/20 0.37
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 2/20 0.36
EPHX2 P34913 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL5797994 0.94 HDAC3 (0.39) MAPTALDH1A1LMNAMAPK1MEN1
SCHEMBL5800094 0.91 MCHR1 (0.43) MAPTROCK2ALDH1A1LMNAMAPK1
SCHEMBL5798599 0.91 MCHR1 (0.43) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5796443 0.91 MAPT (0.38) MAPTROCK2HTTALDH1A1LMNA
SCHEMBL5798799 0.90 MEN1 (0.39) MAPTHTTALDH1A1LMNAMEN1
SCHEMBL5796387 0.88 MCHR1 (0.37) MAPTROCK2LMNAMAPK1MEN1
SCHEMBL5795651 0.88 MAPT (0.40) MAPTHTTALDH1A1LMNAMAPK1
SCHEMBL5799411 0.87 GPR183 (0.36) MAPTROCK2HTTALDH1A1LMNA
SCHEMBL5798002 0.85 HDAC3 (0.39) MAPTALDH1A1LMNAMAPK1MEN1
SCHEMBL5799394 0.84 MCHR1 (0.35) MAPTALDH1A1MEN1KMT2ASMN1; SMN2

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
US-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US claimed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US claimed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 EP claimed
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 4701/4885ROCK2 4537/4885HTT 4375/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MAPT 4763/4885ROCK2 4650/4885HTT 3773/4885

“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.