SCHEMBL5773900

SCHEMBL5773900

O=C(CCc1cnoc1-c1ccc(F)cc1)NCCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
KCNH2 Q12809 1/20 0.49
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
PLAAT3 P53816 1/20 0.47
PLAAT5 Q96KN8 1/20 0.47
PLAAT2 Q9NWW9 1/20 0.47
PLAAT4 Q9UL19 1/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 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
SCHEMBL5773717 0.94 L3MBTL1 (0.52) CYP1A2CYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL5774072 0.90 LMNA (0.54) CYP1A2CYP2C9CYP2C19KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL5773568 0.87 EPHX2 (0.52) CYP1A2CYP2D6CYP2C9CYP2C19KCNH2
Trifluoroacetic Acid SCHEMBL5771354 0.86 ALDH1A1 (0.49) CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL5776524 0.86 EPHX2 (0.43) CYP2C9CYP2C19KCNH2SLC6A2SLC6A4
Trifluoroacetic Acid SCHEMBL5774844 0.83 HDAC4 (0.40) CYP1A2CYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL5773408 0.83 LMNA (0.48) KDM4ERAB9ANPC1HPGDSMN1; SMN2
SCHEMBL5777386 0.83 LMNA (0.47) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL5775822 0.82 HPGD (0.49) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL5773691 0.82 LMNA (0.55) ALDH1A1KMT2AMEN1SMN1; SMN2

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 CYP1A2 68/4885CYP2D6 192/4885CYP2C9 30/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 CYP1A2 74/4885CYP2D6 190/4885CYP2C9 45/4885

“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.