SCHEMBL5752408

SCHEMBL5752408

O=C1NC(Cc2ccc(Oc3ccccc3)cc2)C(c2ccc(F)cc2)O1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
LTA4H P09960 2/20 0.40
EPHX2 P34913 2/20 0.40
MDM2 Q00987 2/20 0.40
GRM5 P41594 2/20 0.39
NR3C1 P04150 1/20 0.36
PARP1 P09874 1/20 0.36
MMP2 P08253 4/20 0.35
MMP13 P45452 3/20 0.35
MMP1 P03956 2/20 0.35
MMP3 P08254 2/20 0.35
MMP9 P14780 2/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
DAO P14920 1/20 0.35

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
SCHEMBL5753180 0.90 MMP13 (0.41) KDM1AMAOAMAOBGRM5MMP13
SCHEMBL5751029 0.88 MDM2 (0.47) MDM2GRM5DAO
SCHEMBL5754080 0.86 RXFP1 (0.43) MDM2MEN1KMT2A
SCHEMBL5753095 0.84 MDM2 (0.43) MDM2GRM5DAO
SCHEMBL5753746 0.81 MDM2 (0.37) MDM2GRM5DAO
SCHEMBL5752541 0.80 MDM2 (0.41) MAOBMDM2GRM5DAO
SCHEMBL5752398 0.80 MDM2 (0.41) MAOBMDM2GRM5DAO
SCHEMBL5750872 0.80 MDM2 (0.41) MDM2GRM5DAO
SCHEMBL5751034 0.80 CETP (0.43)
SCHEMBL5753082 0.79 DAO (0.46) MAOBGRM5MMP13DAO

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 KDM1A 405/4885MAOA 3227/4885MAOB 3565/4885

“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.