SCHEMBL5773849

SCHEMBL5773849

O=C(CCc1cnoc1-c1ccc(F)cc1)Nc1ccnn1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.45
MAPK14 Q16539 2/20 0.39
MAPT P10636 2/20 0.38
RAB9A P51151 1/20 0.37
HCAR2 Q8TDS4 2/20 0.37
HSD11B1 P28845 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2C9 P11712 1/20 0.36
GRM5 P41594 1/20 0.36
KMT2A Q03164 3/20 0.35
CNR2 P34972 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
CNR1 P21554 1/20 0.35

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
SCHEMBL5772362 0.90 NTRK1 (0.43) NTRK1MAPTGRM5KMT2AKDM4E
SCHEMBL5777386 0.82 LMNA (0.47) MAPK14MAPTHCAR2KMT2ACNR2
SCHEMBL5771249 0.78 RAB9A (0.51) MAPTRAB9AHCAR2KMT2AALDH1A1
SCHEMBL5772947 0.77 MGLL (0.47) MAPTHCAR2KMT2ACNR2MEN1
SCHEMBL5771183 0.77 ROCK2 (0.45) MAPK14MAPTHCAR2KMT2AMEN1
SCHEMBL5774072 0.76 LMNA (0.54) MAPTRAB9ACYP2C9KMT2AKDM4E
SCHEMBL5771473 0.75 L3MBTL1 (0.49) MAPTHCAR2KMT2AKDM4EMEN1
SCHEMBL5776806 0.75 SLC6A9 (0.43) RAB9AKMT2AALDH1A1
SCHEMBL5773900 0.75 CYP1A2 (0.52) RAB9ACYP2C9KMT2AKDM4EMEN1
SCHEMBL5773998 0.74 FFAR1 (0.46) MAPTCYP2C9KDM4EALDH1A1

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 NTRK1 4287/4885MAPK14 1376/4885MAPT 4701/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 NTRK1 4129/4885MAPK14 1203/4885MAPT 4763/4885

“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.