SCHEMBL5773429

SCHEMBL5773429

OCc1cnoc1-c1cc(Cl)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.38
DUSP3 P51452 1/20 0.38
PTPN11 Q06124 1/20 0.38
IDO1 P14902 1/20 0.37
EPHX2 P34913 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
HTR2B P41595 1/20 0.36
PDE4D Q08499 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
TDO2 P48775 1/20 0.36
S1PR4 O95977 2/20 0.36
CNR2 P34972 1/20 0.35
ALDH1A1 P00352 2/20 0.34
S1PR2 O95136 1/20 0.34
NOTUM Q6P988 2/20 0.33

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
SCHEMBL5775506 0.88 AHR (0.36) RAB9AHPGDMEN1KMT2ATDO2
SCHEMBL5773401 0.86 IDO1 (0.38) RAB9ADUSP3PTPN11IDO1EPHX2
SCHEMBL5773966 0.85 SIRT2 (0.39) RAB9ADUSP3PTPN11IDO1EPHX2
SCHEMBL5770707 0.80 RXRA (0.53) RXRARXRBMEN1POLBKMT2A
SCHEMBL5776254 0.76 MAPT (0.42) RXRARXRBMEN1POLBKMT2A
SCHEMBL5774717 0.76 AHR (0.41) RAB9AIDO1RXRARXRBMEN1
SCHEMBL5776120 0.75 TDO2 (0.49) RAB9AIDO1RXRARXRBPOLB
SCHEMBL5776001 0.74 MEN1 (0.37) HPGDMEN1POLBKMT2AMAPT
SCHEMBL5776428 0.74 SIRT2 (0.39) RAB9AALDH1A1
SCHEMBL5774711 0.73 RXRA (0.34) DUSP3RXRARXRBMEN1KMT2A

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 RAB9A 3076/4885DUSP3 3406/4885PTPN11 2675/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 RAB9A 3507/4885DUSP3 4231/4885PTPN11 2129/4885

“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.