SCHEMBL5773606

SCHEMBL5773606

O=C(CCc1cnoc1-c1ccc(C(F)(F)F)cc1)Nc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
TP53 P04637 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 5/20 0.45
MLYCD O95822 1/20 0.45
HTT P42858 3/20 0.43
KCNJ5 P48544 1/20 0.43
KCNJ3 P48549 1/20 0.43
CNR2 P34972 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
GMNN O75496 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL5771066 0.92 MLYCD (0.47) MAPTTP53SMN1; SMN2ALDH1A1KDM4E
SCHEMBL5774003 0.92 MGLL (0.50) MAPTTP53SMN1; SMN2ALDH1A1MEN1
SCHEMBL5773332 0.90 CNR2 (0.51) MAPTTP53SMN1; SMN2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL5771101 0.89 TP53 (0.46) MAPTTP53SMN1; SMN2ALDH1A1KDM4E
SCHEMBL5775672 0.89 MAPT (0.50) MAPTTP53SMN1; SMN2ALDH1A1MEN1
Trifluoroacetic Acid SCHEMBL5772665 0.88 NPC1 (0.52) MAPTTP53SMN1; SMN2ALDH1A1LMNA
SCHEMBL5777386 0.87 LMNA (0.47) MAPTSMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL5771411 0.86 TP53 (0.54) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL5772042 0.86 HDAC1 (0.48) MAPTTP53SMN1; SMN2ALDH1A1MEN1
SCHEMBL5776350 0.85 MAPT (0.51) MAPTTP53SMN1; SMN2ALDH1A1KDM4E

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 MAPT 4701/4885TP53 4371/4885SMN1; SMN2 3383/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MAPT 4763/4885TP53 4446/4885SMN1; SMN2 2449/4885

“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.