SCHEMBL4180734

SCHEMBL4180734

CCC(CC)n1cc(NC(=O)CNC(=O)O)c(=O)c2cc(F)c(NC3CCCCC3)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
FOXO1 Q12778 1/20 0.40
CREBBP Q92793 2/20 0.35
PDE10A Q9Y233 1/20 0.34
S1PR3 Q99500 3/20 0.33
POLB P06746 2/20 0.33
CASP3 P42574 1/20 0.33
KDM4E B2RXH2 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
XBP1 P17861 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALOX15 P16050 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32

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
Hydrochloric Acid SCHEMBL261650 0.87 MEN1 (0.52) MEN1KMT2AGAAFOXO1CREBBP
SCHEMBL265623 0.87 KMT2A (0.53) MEN1KMT2AGAAFOXO1CREBBP
SCHEMBL4165411 0.85 MEN1 (0.52) MEN1KMT2AGAAFOXO1CREBBP
SCHEMBL4180748 0.84 MEN1 (0.51) MEN1KMT2AGAAFOXO1PDE10A
SCHEMBL262393 0.84 KMT2A (0.45) MEN1KMT2AGAAFOXO1CREBBP
SCHEMBL261932 0.83 MEN1 (0.52) MEN1KMT2AGAAFOXO1CREBBP
SCHEMBL263296 0.83 MEN1 (0.45) MEN1KMT2AGAAFOXO1CREBBP
SCHEMBL261474 0.83 KMT2A (0.49) MEN1KMT2AGAAFOXO1CREBBP
SCHEMBL262164 0.83 MEN1 (0.52) MEN1KMT2AGAAFOXO1CREBBP
SCHEMBL261593 0.82 KMT2A (0.49) MEN1KMT2AGAAFOXO1CREBBP

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 4 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-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.