SCHEMBL5776826

SCHEMBL5776826

O=C(CCc1cnoc1-c1ccc(C(F)(F)F)cc1)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
MAPT P10636 4/20 0.45
TP53 P04637 2/20 0.45
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
HSP90AA1 P07900 1/20 0.43
NPY1R P25929 1/20 0.43
HTT P42858 1/20 0.43
NPY2R P49146 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL5775672 0.86 MAPT (0.50) CNR2MEN1KMT2AALDH1A1TSHR
SCHEMBL5773332 0.85 CNR2 (0.51) CNR2MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL5773606 0.84 MAPT (0.48) CNR2MEN1KMT2AALDH1A1TSHR
SCHEMBL5773105 0.83 SMN1; SMN2 (0.43) CNR2MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5774003 0.83 MGLL (0.50) MEN1KMT2AALDH1A1TSHRHSD17B10
SCHEMBL5771411 0.82 TP53 (0.54) CNR2MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5773119 0.81 MAPT (0.55) CNR2MEN1KMT2AALDH1A1TSHR
SCHEMBL5771066 0.81 MLYCD (0.47) CNR2MEN1KMT2AALDH1A1TSHR
Trifluoroacetic Acid SCHEMBL5771101 0.81 TP53 (0.46) CNR2MEN1KMT2AALDH1A1TSHR
SCHEMBL5772904 0.80 TP53 (0.48) CNR2SMN1; SMN2MAPTTP53CYP3A4

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 CNR2 987/4885MEN1 2811/4885KMT2A 3907/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 CNR2 848/4885MEN1 2072/4885KMT2A 2906/4885

“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.