SCHEMBL1241150

SCHEMBL1241150

C=C(C)n1cc(C(=O)OCC)c(=O)c2cc(F)c(NC3CCCCC3)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
GAA P10253 1/20 0.55
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALOX15 P16050 1/20 0.43
FOXO1 Q12778 1/20 0.41
CASP3 P42574 4/20 0.41
NR2F2 P24468 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
NPC1 O15118 1/20 0.41
S1PR2 O95136 1/20 0.41
LMNA P02545 1/20 0.41
XBP1 P17861 1/20 0.41
RAB9A P51151 1/20 0.41
PPP1CA P62136 1/20 0.41
ADRB2 P07550 1/20 0.41
PDE4B Q07343 2/20 0.40

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
SCHEMBL31372280 0.86 MEN1 (0.56) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL17387388 0.86 MEN1 (0.56) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL1243812 0.83 KMT2A (0.53) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL1242720 0.82 KMT2A (0.55) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL1243548 0.82 KMT2A (0.59) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL1243820 0.81 KMT2A (0.54) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL1243193 0.81 KMT2A (0.61) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL1242739 0.81 KMT2A (0.54) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL1243822 0.81 KMT2A (0.54) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL1244258 0.81 KMT2A (0.54) KMT2AMEN1GAAALDH1A1KDM4E

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