SCHEMBL5752290

SCHEMBL5752290

O=C(CCCc1ccccc1)NC(Cc1ccccc1C(F)(F)F)C(O)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
SMPD2 O60906 1/20 0.41
SMPD1 P17405 1/20 0.41
CTSG P08311 1/20 0.40
CMA1 P23946 1/20 0.40
CNR2 P34972 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
EPHX2 P34913 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 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
SCHEMBL5752879 0.85 LMNA (0.56) LMNAHDAC1HDAC8SMN1; SMN2CTSG
SCHEMBL5751792 0.85 LMNA (0.49) LMNAHDAC1HDAC8SMN1; SMN2SMPD2
SCHEMBL5755551 0.85 LMNA (0.49) LMNAHDAC1HDAC8SMN1; SMN2SMPD2
SCHEMBL5752002 0.83 BACE1 (0.48) LMNAHDAC1HDAC8SMN1; SMN2SMPD2
SCHEMBL5751263 0.82 LMNA (0.46) LMNAHDAC1HDAC8SMPD2SMPD1
SCHEMBL5750001 0.79 GAA (0.42) LMNAPOLBGAASMN1; SMN2CNR2
SCHEMBL5753673 0.78 FFAR2 (0.52) LMNAGAACNR2KDM4EALDH1A1
SCHEMBL5749123 0.78 ALDH1A1 (0.59) LMNAPOLBGAACNR2ALDH1A1
SCHEMBL5753238 0.75 GAA (0.41) LMNAPOLBGAASMPD2SMPD1
SCHEMBL5752607 0.75 UGCG (0.41) LMNAEPHX2KDM4EALDH1A1

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 LMNA 2989/4885POLB 4680/4885GAA 3065/4885

“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.