SCHEMBL5774003

SCHEMBL5774003

O=C(CCc1cnoc1-c1ccc(C(F)(F)F)cc1)Nc1cccc(-c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.50
HDAC1 Q13547 6/20 0.48
HDAC6 Q9UBN7 6/20 0.48
HDAC3 O15379 5/20 0.48
HDAC2 Q92769 5/20 0.48
HDAC10 Q969S8 5/20 0.48
HDAC8 Q9BY41 5/20 0.48
HDAC4 P56524 4/20 0.48
HDAC7 Q8WUI4 4/20 0.48
HDAC11 Q96DB2 4/20 0.48
HDAC9 Q9UKV0 4/20 0.48
HDAC5 Q9UQL6 4/20 0.48
MAPT P10636 5/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TP53 P04637 3/20 0.46

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
SCHEMBL5773606 0.92 MAPT (0.48) HDAC1MAPTMEN1KMT2AL3MBTL1
SCHEMBL5772947 0.89 MGLL (0.47) MGLLHDAC1HDAC6HDAC3HDAC2
SCHEMBL5775672 0.86 MAPT (0.50) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL5771066 0.84 MLYCD (0.47) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL5776826 0.83 CNR2 (0.48) MAPTMEN1KMT2AL3MBTL1ALDH1A1
Trifluoroacetic Acid SCHEMBL5772665 0.83 NPC1 (0.52) HDAC6HDAC4MAPTALDH1A1TP53
SCHEMBL5773332 0.83 CNR2 (0.51) MAPTMEN1KMT2AL3MBTL1TP53
Trifluoroacetic Acid SCHEMBL5771101 0.82 TP53 (0.46) HDAC6HDAC4MAPTMEN1KMT2A
SCHEMBL5776350 0.82 MAPT (0.51) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL5772042 0.81 HDAC1 (0.48) HDAC1MAPTMEN1KMT2AL3MBTL1

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 MGLL 3212/4885HDAC1 353/4885HDAC6 1324/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MGLL 2781/4885HDAC1 184/4885HDAC6 1224/4885

“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.