SCHEMBL5774678

SCHEMBL5774678

CCN(CCN(CCCc1cnoc1-c1ccc(F)cc1)C(=O)C(F)(F)F)c1cccc(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 4/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.35
GFER P55789 1/20 0.34
TP53 P04637 3/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL5776379 0.92 MAPT (0.41) MAPTALDH1A1LMNAALOX15HTT
SCHEMBL5777440 0.82 HDAC8 (0.35) SMN1; SMN2KDM4ECYP3A4
Trifluoroacetic Acid SCHEMBL5774671 0.81 MAPT (0.54) MAPTALDH1A1LMNAALOX15HTT
SCHEMBL5774087 0.80 CNR1 (0.36) ALOX15TSHR
SCHEMBL5775799 0.80 HDAC8 (0.34)
SCHEMBL5777281 0.77 HDAC8 (0.34) ALDH1A1HPGDKMT2AMEN1KDM4E
SCHEMBL5774849 0.77 HDAC4 (0.33) MAPTALDH1A1LMNAKMT2AKDM4E
SCHEMBL5773577 0.76 NAMPT (0.35)
SCHEMBL5775533 0.75 HDAC8 (0.33)
SCHEMBL5773350 0.75 TSHR (0.40) ALDH1A1LMNAHPGDTSHRUSP2

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 4701/4885ALDH1A1 1045/4885LMNA 2770/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MAPT 4763/4885ALDH1A1 682/4885LMNA 2605/4885

“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.