SCHEMBL5773408

SCHEMBL5773408

CCCCNC(=O)CCc1cnoc1-c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
HIF1A Q16665 1/20 0.48
HPGD P15428 3/20 0.45
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
HDAC4 P56524 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ASAH1 Q13510 1/20 0.39
MAPK1 P28482 1/20 0.38

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
SCHEMBL5776587 0.88 LMNA (0.40) LMNASMN1; SMN2NPC1TP53HTT
SCHEMBL5773717 0.86 L3MBTL1 (0.52) LMNANPC1RAB9AHPGDTSHR
SCHEMBL5772132 0.85 LMNA (0.54) LMNASMN1; SMN2RAB9AHPGDUSP2
SCHEMBL5774005 0.85 LMNA (0.37) LMNASMN1; SMN2NPC1TP53HTT
Trifluoroacetic Acid SCHEMBL5774893 0.83 GAA (0.47) LMNASMN1; SMN2NPC1TP53HTT
SCHEMBL5773900 0.83 CYP1A2 (0.52) SMN1; SMN2NPC1RAB9AHPGDKDM4E
SCHEMBL5773415 0.83 MTNR1A (0.38) LMNASMN1; SMN2TP53HPGDUSP2
SCHEMBL5774669 0.82 HPGD (0.37) LMNASMN1; SMN2NPC1TP53HTT
SCHEMBL5774227 0.82 ALDH1A1 (0.38) LMNASMN1; SMN2NPC1TP53HTT
SCHEMBL5769962 0.81 SMN1; SMN2 (0.41) LMNASMN1; SMN2NPC1TP53RAB9A

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 LMNA 2770/4885SMN1; SMN2 3383/4885NPC1 2417/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 LMNA 2605/4885SMN1; SMN2 2449/4885NPC1 1770/4885

“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.