SCHEMBL5751025

SCHEMBL5751025

O=C(NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])c2c1CCCC2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPD P32754 2/20 0.39
MAPT P10636 3/20 0.35
HTT P42858 1/20 0.35
PTGER4 P35408 1/20 0.35
BACE1 P56817 4/20 0.35
BACE2 Q9Y5Z0 2/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
UGCG Q16739 1/20 0.34
TACR1 P25103 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KCNK3 O14649 1/20 0.33
PDE2A O00408 1/20 0.33

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
SCHEMBL5747861 0.87 BACE1 (0.37) PTGER4BACE1BACE2MEN1KMT2A
SCHEMBL5753364 0.85 BACE1 (0.37) HPDHTTPTGER4BACE1BACE2
SCHEMBL5751771 0.82 CXCR5 (0.47) PTGER4BACE1BACE2UGCGL3MBTL1
SCHEMBL5753581 0.81 P2RX1 (0.39) MAPTHTTPTGER4LMNAMEN1
SCHEMBL5751394 0.81 CXCR5 (0.46) PTGER4BACE1BACE2UGCGL3MBTL1
SCHEMBL5753826 0.78 CCR3 (0.40) MAPTHTTBACE1LMNAL3MBTL1
SCHEMBL6581240 0.78 PDE2A (0.40) PTGER4BACE1BACE2LMNANOS3
SCHEMBL5752379 0.78 ALDH1A1 (0.48) PTGER4LMNANOS3NOS1NOS2
SCHEMBL5751409 0.78 ALDH1A1 (0.48) PTGER4LMNANOS3NOS1NOS2
SCHEMBL5753146 0.77 CCR3 (0.43) MAPTHTTBACE1LMNAMEN1

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 HPD 2948/4885MAPT 2688/4885HTT 3098/4885

“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.