SCHEMBL261692

SCHEMBL261692

C[C@H](Oc1cn(C2CCCC2)c2cc(NC3CCCCC3)c(F)cc2c1=O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
FOXO1 Q12778 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPT P10636 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.37
PTGDR Q13258 1/20 0.37
CYP1A2 P05177 1/20 0.37
TOP2A P11388 1/20 0.37
CYP2C9 P11712 1/20 0.37
TOP2B Q02880 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL14248150 1.00 MEN1 (0.48) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL14248443 0.92 MEN1 (0.48) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL14248445 0.92 MEN1 (0.46) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL14248448 0.92 MEN1 (0.46) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL266982 0.90 MEN1 (0.46) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL14247997 0.90 MEN1 (0.49) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL14248140 0.89 MEN1 (0.49) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL14248142 0.89 MEN1 (0.49) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL262802 0.87 MEN1 (0.48) MEN1KMT2AGAAFOXO1PTGS1
SCHEMBL14248764 0.87 MEN1 (0.47) MEN1KMT2AGAAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 US claimed
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 US claimed
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 US claimed
EP-1995240-B1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC (JP) 2012-02-22 EP claimed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 US claimed
EP-1995240-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-26 EP claimed
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 US disclosed
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 US disclosed
WO-2012174013-A2 TREATMENT OF CARDIOVASCULAR DISEASE, STROKE, AND INFLAMMATORY CONDITIONS CARDEUS PHARMACEUTICALS, INC. (US) 2012-12-20 WO disclosed
WO-2012174013-A2 TREATMENT OF CARDIOVASCULAR DISEASE, STROKE, AND INFLAMMATORY CONDITIONS CARDEUS PHARMACEUTICALS, INC. (US) 2012-12-20 WO disclosed
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 US disclosed
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 US disclosed
EP-1995240-B1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC (JP) 2012-02-22 EP disclosed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 US disclosed
EP-1995240-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-26 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 (2 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-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY10, P2RY12, P2RY11 MEN1 3327/4885KMT2A 2966/4885GAA 4203/4885
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY12, P2RY11, P2RY10 MEN1 2994/4885KMT2A 2967/4885GAA 4528/4885

“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.