SCHEMBL262152

SCHEMBL262152

CCC(NCc1cn(C2CCOC2)c2cc(NC3CCCCC3)c(F)cc2c1=O)C(=O)OC(=O)C(=O)OC(=O)C(CC)NCc1cn(C2CCOC2)c2cc(NC3CCCCC3)c(F)cc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR3A P46098 6/20 0.33
FOXO1 Q12778 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
P2RX7 Q99572 2/20 0.32
KDM4C Q9H3R0 1/20 0.31
IL1B P01584 1/20 0.31

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
SCHEMBL263468 0.91 MEN1 (0.44) MEN1GAAKMT2AHTR3AFOXO1
Oxalic Acid SCHEMBL262151 0.89 MEN1 (0.43) MEN1GAAKMT2AHTR3AFOXO1
SCHEMBL4588550 0.85 MEN1 (0.42) MEN1GAAKMT2AHTR3AFOXO1
SCHEMBL4174142 0.82 MEN1 (0.46) MEN1GAAKMT2AHTR3AFOXO1
SCHEMBL4587943 0.81 MEN1 (0.45) MEN1GAAKMT2AHTR3AFOXO1
Hydrochloric Acid SCHEMBL263283 0.81 MEN1 (0.48) MEN1GAAKMT2AFOXO1KDM4E
Oxalic Acid SCHEMBL4588543 0.80 MEN1 (0.43) MEN1GAAKMT2AHTR3AFOXO1
SCHEMBL632342 0.79 MEN1 (0.44) MEN1GAAKMT2AHTR3AFOXO1
SCHEMBL1243313 0.79 KMT2A (0.51) MEN1GAAKMT2AHTR3AFOXO1
Trifluoroacetic Acid SCHEMBL261518 0.78 MEN1 (0.44) MEN1GAAKMT2AHTR3AFOXO1

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 5 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 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

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 3327/4885GAA 4203/4885KMT2A 2966/4885
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY12, P2RY11, P2RY10 MEN1 2994/4885GAA 4528/4885KMT2A 2967/4885

“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.