SCHEMBL5771473

SCHEMBL5771473

O=C(CCc1cnoc1-c1ccc(F)cc1)Nc1ccccc1Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.49
POLB P06746 2/20 0.49
ATM Q13315 1/20 0.49
ADRA2C P18825 1/20 0.47
GAA P10253 2/20 0.46
CYP19A1 P11511 1/20 0.45
HCAR2 Q8TDS4 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 2/20 0.41
MTNR1B P49286 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL5772043 0.91 L3MBTL1 (0.46) L3MBTL1POLBATMADRA2CGAA
SCHEMBL5771249 0.85 RAB9A (0.51) L3MBTL1POLBATMGAAHCAR2
SCHEMBL5777386 0.83 LMNA (0.47) POLBGAAHCAR2ALDH1A1MEN1
SCHEMBL5772947 0.78 MGLL (0.47) GAAHCAR2MEN1KMT2AMAPT
SCHEMBL5771183 0.78 ROCK2 (0.45) POLBGAAHCAR2ALDH1A1MEN1
SCHEMBL5774014 0.78 KDM4E (0.44) L3MBTL1ATMGAAHCAR2ALDH1A1
SCHEMBL5774072 0.77 LMNA (0.54) POLBGAAALDH1A1MEN1KMT2A
SCHEMBL5776674 0.76 SMN1; SMN2 (0.46) L3MBTL1POLBGAAMEN1KMT2A
SCHEMBL5776806 0.76 SLC6A9 (0.43) POLBALDH1A1KMT2A
SCHEMBL5773900 0.76 CYP1A2 (0.52) L3MBTL1ALDH1A1MEN1KMT2AKDM4E

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 L3MBTL1 2718/4885POLB 3996/4885ATM 2107/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 L3MBTL1 1898/4885POLB 3909/4885ATM 2206/4885

“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.