SCHEMBL5771183

SCHEMBL5771183

O=C(CCc1cnoc1-c1ccc(F)cc1)Nc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.45
GAA P10253 2/20 0.44
HCAR2 Q8TDS4 1/20 0.43
MAPK14 Q16539 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 2/20 0.43
MCHR1 Q99705 1/20 0.43
LTA4H P09960 1/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HDAC1 Q13547 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41

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
SCHEMBL5777386 0.91 LMNA (0.47) ROCK2GAAHCAR2MAPK14MAPT
SCHEMBL5771066 0.89 MLYCD (0.47) ROCK2MAPTHTTLMNAMCHR1
SCHEMBL5772947 0.83 MGLL (0.47) GAAHCAR2MAPTHTTMEN1
SCHEMBL5773332 0.83 CNR2 (0.51) MAPK14MAPTHTTLMNAMCHR1
SCHEMBL5774072 0.83 LMNA (0.54) GAAMAPTHTTLMNAPOLB
SCHEMBL5773900 0.82 CYP1A2 (0.52) SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5770235 0.81 MCHR1 (0.40) GAAMAPTHTTMCHR1POLB
SCHEMBL5798605 0.81 MCHR1 (0.43) GAAMAPTMCHR1MEN1KMT2A
SCHEMBL5777412 0.81 KMT2A (0.40) GAAMAPTLMNAMCHR1POLB
SCHEMBL5771249 0.81 RAB9A (0.51) GAAHCAR2MAPTHTTLMNA

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 ROCK2 4537/4885GAA 2207/4885HCAR2 313/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 ROCK2 4650/4885GAA 1930/4885HCAR2 372/4885

“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.