SCHEMBL5773717

SCHEMBL5773717

O=C(CCc1cnoc1-c1ccc(F)cc1)NCCCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
LMNA P02545 2/20 0.48
KCNH2 Q12809 1/20 0.47
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 2/20 0.45
GAA P10253 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TSHR P16473 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL5773900 0.94 CYP1A2 (0.52) L3MBTL1NPC1RAB9AKCNH2ALDH1A1
SCHEMBL5774072 0.88 LMNA (0.54) RAB9ALMNAALDH1A1KMT2AMEN1
SCHEMBL5773408 0.86 LMNA (0.48) NPC1RAB9ALMNAHPGDTSHR
SCHEMBL5776524 0.84 EPHX2 (0.43) KCNH2CYP2C9CYP2C19SLC6A2SLC6A4
SCHEMBL5776587 0.83 LMNA (0.40) NPC1RAB9ALMNAHPGDTSHR
Trifluoroacetic Acid SCHEMBL5774844 0.82 HDAC4 (0.40) LMNAKCNH2ALDH1A1KMT2AMEN1
SCHEMBL5777386 0.81 LMNA (0.47) LMNAALDH1A1KMT2AMEN1GAA
Trifluoroacetic Acid SCHEMBL5773568 0.81 EPHX2 (0.52) KCNH2KMT2AMEN1HPGDGAA
Trifluoroacetic Acid SCHEMBL5771354 0.81 ALDH1A1 (0.49) L3MBTL1LMNAALDH1A1KMT2AMEN1
SCHEMBL5775822 0.81 HPGD (0.49) LMNAALDH1A1KMT2AMEN1HPGD

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 2718/4885NPC1 2417/4885RAB9A 3076/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 L3MBTL1 1898/4885NPC1 1770/4885RAB9A 3507/4885

“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.