SCHEMBL5774149

SCHEMBL5774149

Cc1cc(-c2oncc2CCCO)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.38
CYP2C9 P11712 2/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34
PPARA Q07869 1/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
KCNH2 Q12809 2/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32

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
SCHEMBL5771560 0.89 SIRT2 (0.40) SIRT2MEN1KMT2AMAPTTSHR
SCHEMBL5773727 0.88 SIRT2 (0.37) SIRT2MEN1KMT2AKCNH2ABL1
SCHEMBL5776001 0.86 MEN1 (0.37) CYP2C9CYP19A1CYP2C19MEN1KMT2A
SCHEMBL5774537 0.85 SIRT2 (0.37) SIRT2MEN1KMT2APPARA
SCHEMBL5770999 0.83 SIRT2 (0.40) SIRT2HPGDKCNH2PTGS2PTGS1
SCHEMBL5768932 0.82 FFAR1 (0.43) MAPTTSHRPPARA
SCHEMBL5773091 0.81 MAPT (0.38) CYP2C9CYP19A1CYP2C19MEN1KMT2A
SCHEMBL5774918 0.81 CYP19A1 (0.39) SIRT2CYP2C9CYP19A1CYP2C19MEN1
SCHEMBL5774173 0.81 SIRT2 (0.52) SIRT2CYP2C9CYP19A1CYP2C19TSHR
SCHEMBL5774842 0.80 TDO2 (0.44) SIRT2MAPTTLR8

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 SIRT2 1426/4885CYP2C9 30/4885CYP19A1 117/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 SIRT2 738/4885CYP2C9 45/4885CYP19A1 62/4885

“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.