Sugi Predict

Sugi Predict / Compounds / SCHEMBL1242800

SCHEMBL1242800

SCHEMBL1242800

O=C(O)c1c(=O)c2cc(F)c(NC3CCCCC3)cc2n2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ CREBBP Q92793 2/20 0.40
▸ FOXO1 Q12778 1/20 0.40
▸ NPC1 O15118 5/20 0.37
▸ RAB9A P51151 5/20 0.37
▸ PPARG P37231 1/20 0.37
▸ NCOA2 Q15596 1/20 0.37
▸ KDM4E B2RXH2 6/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CASP3 P42574 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ IDO1 P14902 2/20 0.35
▸ PTGS1 P23219 1/20 0.35

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
SCHEMBL1243899 0.86 MEN1 (0.50) GAAKMT2AMEN1KDM4ELMNA
SCHEMBL1242560 0.77 GAA (0.49) GAAKMT2AMEN1CREBBPFOXO1
SCHEMBL262303 0.75 GAA (0.48) GAAKMT2AMEN1CREBBPFOXO1
SCHEMBL10385834 0.74 ALDH1A1 (0.53) GAAKMT2AMEN1NPC1KDM4E
SCHEMBL1243987 0.73 MEN1 (0.46) GAAKMT2AMEN1CREBBPFOXO1
SCHEMBL1243945 0.72 MEN1 (0.49) GAAKMT2AMEN1CREBBPFOXO1
SCHEMBL10404359 0.72 KDM4E (0.53) KMT2AMEN1KDM4ELMNACASP3
SCHEMBL262257 0.71 KDM4E (0.58) GAAKMT2AMEN1FOXO1KDM4E
SCHEMBL1243866 0.70 KMT2A (0.81) GAAKMT2AMEN1FOXO1NPC1
SCHEMBL1242622 0.69 MEN1 (0.56) GAAKMT2AMEN1FOXO1KDM4E

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 GAA 1758/4885KMT2A 2659/4885MEN1 2643/4885
US-20060148806-A1 Quinolone derivative or salt thereof THPO, ABL1, GMPS GAA 1758/4885KMT2A 2659/4885MEN1 2643/4885

“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.