SCHEMBL5751365

SCHEMBL5751365

O=C(NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
PDE2A O00408 1/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
CA2 P00918 1/20 0.40
BACE1 P56817 2/20 0.39
BACE2 Q9Y5Z0 1/20 0.39
KCNH2 Q12809 4/20 0.39
VNN1 O95497 2/20 0.39
SLC6A9 P48067 1/20 0.39
CCR2 P41597 1/20 0.39
TRPA1 O75762 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 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
SCHEMBL5751409 0.93 ALDH1A1 (0.48) ALDH1A1LMNAPDE2ANOS3NOS1
SCHEMBL5752379 0.93 ALDH1A1 (0.48) ALDH1A1LMNAPDE2ANOS3NOS1
SCHEMBL5752315 0.90 CNR2 (0.45) TACR1ALDH1A1LMNANOS3NOS1
SCHEMBL5752099 0.90 VNN1 (0.49) ALDH1A1LMNAPDE2ANOS3NOS1
SCHEMBL5751509 0.88 UTS2R (0.50) ALDH1A1LMNANOS3NOS1NOS2
SCHEMBL5752046 0.88 ALDH1A1 (0.46) ALDH1A1LMNAPDE2ANOS3NOS1
SCHEMBL5753639 0.86 MMP2 (0.46) ALDH1A1LMNAPDE2ACA2SLC6A9
SCHEMBL5751154 0.85 PIN1 (0.55) SLC6A9
SCHEMBL5750953 0.85 ALDH1A1 (0.52) ALDH1A1LMNAPDE2ANOS3NOS1
SCHEMBL5751037 0.85 UTS2R (0.47) ALDH1A1LMNASLC6A9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 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 (1 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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP TACR1 2291/4885ALDH1A1 783/4885LMNA 2989/4885

“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.