SCHEMBL5798002

SCHEMBL5798002

O=C(CCCc1cnoc1-c1ccccc1)Nc1ccc(C[P]2(O)OCCCO2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC2 Q92769 4/20 0.39
HDAC6 Q9UBN7 4/20 0.39
HDAC4 P56524 3/20 0.39
HDAC7 Q8WUI4 3/20 0.39
HDAC10 Q969S8 3/20 0.39
HDAC11 Q96DB2 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC9 Q9UKV0 3/20 0.39
HDAC5 Q9UQL6 3/20 0.39
LMNA P02545 2/20 0.39
TRPV1 Q8NER1 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
NFKB1 P19838 2/20 0.39
RAB9A P51151 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
KDM1A O60341 2/20 0.39

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
SCHEMBL5796443 0.94 MAPT (0.38) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL5797994 0.91 HDAC3 (0.39) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL5798817 0.89 KMT2A (0.39) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL5798611 0.85 MCHR1 (0.43) HDAC3HDAC1HDAC2HDAC6HDAC10
SCHEMBL5800098 0.85 MCHR1 (0.43) HDAC1HDAC6LMNAMAPTMAPK1
SCHEMBL5796433 0.85 MAPT (0.38) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL5796394 0.83 MCHR1 (0.37) HDAC1HDAC2LMNATRPV1SMN1; SMN2
SCHEMBL5797999 0.83 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL5795672 0.82 MAPT (0.40) LMNASMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL5799418 0.81 GPR183 (0.36) LMNASMN1; SMN2NPC1RAB9AALDH1A1

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 HDAC3 132/4885HDAC1 353/4885HDAC2 449/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 HDAC3 105/4885HDAC1 184/4885HDAC2 391/4885

“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.