Sugi Predict

Sugi Predict / Compounds / SCHEMBL1243794

SCHEMBL1243794

SCHEMBL1243794

CC(COC1CCCCO1)n1cc(C(=O)O)c(=O)c2cc(F)c(NC3CCCCC3)cc21

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ FOXO1 Q12778 1/20 0.42
▸ CREBBP Q92793 2/20 0.36
▸ EP300 Q09472 1/20 0.36
▸ KDM4E B2RXH2 4/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ HSD17B10 Q99714 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ METTL3 Q86U44 1/20 0.33
▸ TOP1 P11387 2/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ KCNH2 Q12809 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
SCHEMBL1243589 0.91 KMT2A (0.47) MEN1KMT2AGAAFOXO1KDM4E
SCHEMBL27635187 0.83 MEN1 (0.56) MEN1KMT2AGAAFOXO1KDM4E
SCHEMBL27635240 0.83 MEN1 (0.56) MEN1KMT2AGAAFOXO1KDM4E
SCHEMBL27635311 0.80 MEN1 (0.52) MEN1KMT2AGAAFOXO1CREBBP
SCHEMBL27656230 0.79 MEN1 (0.56) MEN1KMT2AGAAFOXO1KDM4E
SCHEMBL27656220 0.76 MEN1 (0.53) MEN1KMT2AGAAFOXO1CREBBP
SCHEMBL1244258 0.74 KMT2A (0.54) MEN1KMT2AGAAFOXO1KDM4E
SCHEMBL1243822 0.74 KMT2A (0.54) MEN1KMT2AGAAFOXO1KDM4E
SCHEMBL1242641 0.74 KMT2A (0.54) MEN1KMT2AGAAFOXO1KDM4E
SCHEMBL1243866 0.74 KMT2A (0.81) MEN1KMT2AGAAFOXO1KDM4E

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-7879878-B2 such as {2-[({[7-(cyclohexylamino)-6-fluoro-4-oxo-1-[(3S)-tetrahydrofuran-3-yl]-1,4-dihydroquinolin-3-yl}carbonyl)amino]ethyl}phosphonic acid, used as platelet aggregation inhibitor and purinergic receptor (P2Y12) inhibitors; therapy for circulatory diseases involving thrombosis via platelet aggregation ASTELLAS PHARMA INC. (JP) 2011-02-01 — — US disclosed
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.