SCHEMBL261879

SCHEMBL261879

CC(C)(C)N(Cc1cn(C2CCOC2)c2cc(NC3CCCCC3)c(F)cc2c1=O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
KDM4C Q9H3R0 2/20 0.38
FOXO1 Q12778 1/20 0.35
P2RX7 Q99572 4/20 0.34
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 4/20 0.34
LMNA P02545 3/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPT P10636 1/20 0.34
IL1B P01584 2/20 0.33
HTR3A P46098 3/20 0.32
TYK2 P29597 3/20 0.31
CYP1A2 P05177 1/20 0.30
TOP2A P11388 1/20 0.30
CYP2C9 P11712 1/20 0.30
TOP2B Q02880 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30

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
SCHEMBL263753 0.91 MEN1 (0.47) MEN1KMT2AGAAFOXO1KDM4E
SCHEMBL4174142 0.84 MEN1 (0.46) MEN1KMT2AGAAKDM4CFOXO1
SCHEMBL4587943 0.83 MEN1 (0.45) MEN1KMT2AGAAKDM4CFOXO1
Oxalic Acid SCHEMBL4588543 0.81 MEN1 (0.43) MEN1KMT2AGAAKDM4CFOXO1
Trifluoroacetic Acid SCHEMBL261518 0.81 MEN1 (0.44) MEN1KMT2AGAAKDM4CFOXO1
SCHEMBL262831 0.80 MEN1 (0.47) MEN1KMT2AGAAFOXO1KDM4E
SCHEMBL263468 0.80 MEN1 (0.44) MEN1KMT2AGAAKDM4CFOXO1
Oxalic Acid SCHEMBL262151 0.79 MEN1 (0.43) MEN1KMT2AGAAKDM4CFOXO1
SCHEMBL4588550 0.78 MEN1 (0.42) MEN1KMT2AGAAKDM4CFOXO1
SCHEMBL632342 0.78 MEN1 (0.44) MEN1KMT2AGAAKDM4CFOXO1

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-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

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-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY10, P2RY12, P2RY11 MEN1 3327/4885KMT2A 2966/4885GAA 4203/4885

“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.