SCHEMBL5774834

SCHEMBL5774834

O=C(CCc1cnoc1-c1ccc(F)cc1)NC1Cc2ccccc2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
GRM7 Q14831 2/20 0.41
CHRNA7 P36544 3/20 0.40
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
RXFP1 Q9HBX9 1/20 0.39
HPGD P15428 4/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
TNKS O95271 1/20 0.36
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
PRMT5 O14744 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 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
SCHEMBL5774126 0.88 MEN1 (0.43) RXFP1HPGDALDH1A1SMN1; SMN2TSHR
SCHEMBL5777123 0.85 HPGD (0.50) RXFP1HPGDALDH1A1SMN1; SMN2TSHR
SCHEMBL5777386 0.79 LMNA (0.47) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL5774072 0.77 LMNA (0.54) MAPTHPGDALDH1A1SMN1; SMN2TSHR
SCHEMBL5771249 0.77 RAB9A (0.51) MAPTHPGDALDH1A1SMN1; SMN2TSHR
SCHEMBL5769962 0.76 SMN1; SMN2 (0.41) MAPTHPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL5773900 0.76 CYP1A2 (0.52) HPGDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5776806 0.76 SLC6A9 (0.43) HPGDALDH1A1TSHRKMT2A
Trifluoroacetic Acid SCHEMBL5772877 0.76 HTT (0.39) MAPTUSP2MEN1KMT2AHTT
Trifluoroacetic Acid SCHEMBL5771830 0.76 DRD2 (0.54) SMN1; SMN2TSHRHTT

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 4701/4885GRM7 1468/4885CHRNA7 1379/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MAPT 4763/4885GRM7 1517/4885CHRNA7 2020/4885

“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.