SCHEMBL1241058

SCHEMBL1241058

CCn1cc(C(=O)NCC(=O)O)c(=O)c2cc(F)c(NCC3CCCCC3)cc21

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
GAA P10253 4/20 0.61
KDM4E B2RXH2 7/20 0.49
ALDH1A1 P00352 6/20 0.49
GLA P06280 1/20 0.46
PDE10A Q9Y233 1/20 0.46
RAD52 P43351 1/20 0.45
HPGD P15428 4/20 0.45
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
DRD3 P35462 1/20 0.43
BRD4 O60885 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
CYP2J2 P51589 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL4110428 0.88 MEN1 (0.79) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL1243570 0.84 MEN1 (0.56) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL4106244 0.82 KDM4E (0.56) MEN1KMT2AGAAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL1244264 0.80 MEN1 (0.64) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL4109622 0.80 MEN1 (0.66) MEN1KMT2AGAAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL1243620 0.78 MEN1 (0.66) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL27635204 0.78 MEN1 (0.71) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL27656221 0.78 MEN1 (0.73) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL4110967 0.77 MEN1 (0.61) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL4109532 0.76 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 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.