SCHEMBL4177370

SCHEMBL4177370

O=C(O)NCc1cn(C2CCCC2)c2cc(NC3CCCCC3)c(F)cc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51
FOXO1 Q12778 1/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPT P10636 1/20 0.39
MAPK8 P45983 1/20 0.38
TOP2A P11388 3/20 0.37
TOP2B Q02880 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
GSK3B P49841 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 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
SCHEMBL265594 0.92 MEN1 (0.51) MEN1GAAKMT2AFOXO1KDM4E
SCHEMBL4174142 0.90 MEN1 (0.46) MEN1GAAKMT2AFOXO1KDM4E
SCHEMBL261772 0.89 MEN1 (0.51) MEN1GAAKMT2AFOXO1KDM4E
SCHEMBL266493 0.88 MEN1 (0.49) MEN1GAAKMT2AFOXO1KDM4E
Hydrochloric Acid SCHEMBL4588096 0.87 MEN1 (0.48) MEN1GAAKMT2AFOXO1KDM4E
SCHEMBL262566 0.86 MEN1 (0.53) MEN1GAAKMT2AFOXO1KDM4E
SCHEMBL4172238 0.86 MEN1 (0.51) MEN1GAAKMT2AFOXO1KDM4E
SCHEMBL263832 0.85 MEN1 (0.51) MEN1GAAKMT2AFOXO1KDM4E
Hydrochloric Acid SCHEMBL263283 0.84 MEN1 (0.48) MEN1GAAKMT2AFOXO1KDM4E
Hydrochloric Acid SCHEMBL27763884 0.84 MEN1 (0.47) MEN1GAAKMT2AFOXO1KDM4E

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-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 US 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 (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-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.