SCHEMBL5753364

SCHEMBL5753364

O=C(NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)cc1)c1cc([N+](=O)[O-])cc2c1CCCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.37
BACE2 Q9Y5Z0 2/20 0.36
PTGER4 P35408 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
UGCG Q16739 1/20 0.34
HPD P32754 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CXCR5 P32302 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
OPRK1 P41145 1/20 0.33
PDE2A O00408 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
MARS2 Q96GW9 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TSHR P16473 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
SCHEMBL5751025 0.85 HPD (0.39) BACE1BACE2PTGER4MEN1KMT2A
SCHEMBL5751771 0.83 CXCR5 (0.47) BACE1BACE2PTGER4UGCGL3MBTL1
SCHEMBL5751394 0.83 CXCR5 (0.46) BACE1BACE2PTGER4UGCGL3MBTL1
SCHEMBL5753826 0.82 CCR3 (0.40) BACE1HTTL3MBTL1LMNAPDE2A
SCHEMBL5747861 0.80 BACE1 (0.37) BACE1BACE2PTGER4MEN1KMT2A
SCHEMBL5753146 0.78 CCR3 (0.43) BACE1MEN1KMT2AHTTL3MBTL1
SCHEMBL1898861 0.76 CXCR5 (0.47) BACE1PTGER4UGCGCXCR5CYP3A4
SCHEMBL5753581 0.76 P2RX1 (0.39) PTGER4MEN1KMT2AHTTL3MBTL1
SCHEMBL5751409 0.76 ALDH1A1 (0.48) PTGER4LMNAPDE2AALDH1A1CYP3A4
SCHEMBL5752379 0.76 ALDH1A1 (0.48) PTGER4LMNAPDE2AALDH1A1CYP3A4

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 BACE1 835/4885BACE2 1392/4885PTGER4 1632/4885

“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.