SCHEMBL5771735

SCHEMBL5771735

CCOC(=O)c1cnoc1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.50
SMN1; SMN2 Q16637 7/20 0.50
MAPT P10636 6/20 0.50
TSHR P16473 2/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 1/20 0.50
ATM Q13315 1/20 0.50
TARBP2 Q15633 1/20 0.50
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
TP53 P04637 2/20 0.49
KDM4E B2RXH2 3/20 0.46
HPGD P15428 3/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
HSD17B10 Q99714 2/20 0.46
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46
STAT1 P42224 1/20 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
SCHEMBL6502372 0.97 TSHR (0.53) ALDH1A1SMN1; SMN2MAPTTSHRLMNA
SCHEMBL5773388 0.89 TARBP2 (0.48) ALDH1A1SMN1; SMN2MAPTTSHRLMNA
SCHEMBL10668171 0.86 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL343836 0.86 HTT (0.50) ALDH1A1SMN1; SMN2MAPTTSHRLMNA
SCHEMBL11384351 0.86 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPTTSHRLMNA
SCHEMBL5776864 0.85 GAA (0.51) ALDH1A1SMN1; SMN2MAPTLMNATARBP2
SCHEMBL5774574 0.84 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MAPTTSHRLMNA
SCHEMBL21172100 0.83 CYP11B1 (0.44) ALDH1A1SMN1; SMN2MAPTTSHRLMNA
SCHEMBL5772913 0.83 MAPT (0.49) ALDH1A1SMN1; SMN2MAPTLMNARAB9A
SCHEMBL5775490 0.82 ALOX5 (0.52) ALDH1A1SMN1; SMN2MAPTTP53KDM4E

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 ALDH1A1 1045/4885SMN1; SMN2 3383/4885MAPT 4701/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 ALDH1A1 682/4885SMN1; SMN2 2449/4885MAPT 4763/4885

“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.