SCHEMBL4110428

SCHEMBL4110428

CCn1cc(C(=O)NCC(=O)O)c(=O)c2cc(F)c(NC3CCCCC3)cc21

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.79
KMT2A Q03164 5/20 0.79
GAA P10253 5/20 0.79
FOXO1 Q12778 1/20 0.55
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 5/20 0.49
GLA P06280 1/20 0.48
RAD52 P43351 1/20 0.47
HPGD P15428 3/20 0.47
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
DRD3 P35462 1/20 0.45

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
SCHEMBL4109622 0.92 MEN1 (0.66) MEN1KMT2AGAAFOXO1KDM4E
Hydrochloric Acid SCHEMBL1243620 0.90 MEN1 (0.66) MEN1KMT2AGAAFOXO1KDM4E
Hydrochloric Acid SCHEMBL1244264 0.90 MEN1 (0.64) MEN1KMT2AGAAFOXO1KDM4E
SCHEMBL27635204 0.89 MEN1 (0.71) MEN1KMT2AGAAFOXO1KDM4E
SCHEMBL27656221 0.89 MEN1 (0.73) MEN1KMT2AGAAFOXO1KDM4E
SCHEMBL4110967 0.88 MEN1 (0.61) MEN1KMT2AGAAFOXO1KDM4E
SCHEMBL4111281 0.88 MEN1 (1.00) MEN1KMT2AGAAFOXO1KDM4E
SCHEMBL1243831 0.88 MEN1 (0.85) MEN1KMT2AGAAFOXO1KDM4E
SCHEMBL1243866 0.88 KMT2A (0.81) MEN1KMT2AGAAFOXO1KDM4E
SCHEMBL1241058 0.88 MEN1 (0.61) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124617-A1 QUINOLONE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-05-14 US disclosed
US-7488739-B2 Quinolone derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-02-10 US disclosed
US-20060148806-A1 Quinolone derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2006-07-06 US disclosed
EP-1650192-A1 QUINOLONE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2006-04-26 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-20090124617-A1 QUINOLONE DERIVATIVE OR SALT THEREOF THPO, ABL1, GMPS MEN1 2643/4885KMT2A 2659/4885GAA 1758/4885
US-20060148806-A1 Quinolone derivative or salt thereof THPO, ABL1, GMPS MEN1 2643/4885KMT2A 2659/4885GAA 1758/4885

“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.