SCHEMBL5776871

SCHEMBL5776871

O=C(CCc1cnoc1-c1ccc(F)cc1)NCc1ccc2c(c1)OCO2

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
RAB9A P51151 2/20 0.53
NPSR1 Q6W5P4 2/20 0.52
MEN1 O00255 2/20 0.52
LMNA P02545 1/20 0.51
MAPK1 P28482 2/20 0.50
POLB P06746 2/20 0.49
HPGD P15428 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TP53 P04637 1/20 0.47
CRHBP P24387 1/20 0.47
RECQL P46063 1/20 0.47
CRHR2 Q13324 1/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL5774072 0.82 LMNA (0.54) KMT2ARAB9AMEN1LMNAPOLB
SCHEMBL5775471 0.81 HDAC3 (0.46) KMT2ARAB9AMEN1LMNAHPGD
SCHEMBL108701 0.77 KMT2A (0.73) KMT2ARAB9ANPSR1MEN1LMNA
Trifluoroacetic Acid SCHEMBL5771828 0.77 GSK3B (0.42) KMT2ALMNAHPGDSMN1; SMN2MAPT
Trifluoroacetic Acid SCHEMBL5907107 0.77 FAAH (0.51) KMT2ANPSR1MEN1LMNAMAPK1
SCHEMBL5772933 0.76 ALDH1A1 (0.52) KMT2ARAB9ANPSR1MEN1MAPK1
SCHEMBL179082 0.75 HPGD (0.73) KMT2ARAB9ANPSR1MEN1LMNA
SCHEMBL28999851 0.75 KMT2A (0.59) KMT2ARAB9ANPSR1MEN1LMNA
SCHEMBL5773900 0.75 CYP1A2 (0.52) KMT2ARAB9AMEN1HPGDSMN1; SMN2
SCHEMBL5773415 0.75 MTNR1A (0.38) LMNAPOLBHPGDSMN1; SMN2MAPT

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 KMT2A 3907/4885RAB9A 3076/4885NPSR1 2939/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 KMT2A 2906/4885RAB9A 3507/4885NPSR1 3283/4885

“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.