SCHEMBL4499655

SCHEMBL4499655

CC[C@@H]1c2cccn2-c2ccc(F)cc2N1C(=O)c1cccc(O)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.35
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
POLB P06746 1/20 0.33
SLC2A1 P11166 1/20 0.33
SLC2A4 P14672 1/20 0.33

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
SCHEMBL4502884 1.00 MGLL (0.35) MGLLLMNAGAAMAPTKMT2A
SCHEMBL4498568 1.00 MGLL (0.35) MGLLLMNAGAAMAPTKMT2A
SCHEMBL4489137 0.89 KMT2A (0.35) KMT2AMEN1POLB
SCHEMBL4490091 0.89 KMT2A (0.35) KMT2AMEN1POLB
SCHEMBL4489220 0.89 KMT2A (0.35) KMT2AMEN1POLB
SCHEMBL4496497 0.88 ALDH1A1 (0.34) MGLLLMNAGAAMAPTKMT2A
SCHEMBL4490943 0.87 ALDH1A1 (0.46) LMNAKMT2AMEN1
SCHEMBL4489743 0.86 KMT2A (0.39) MGLLKMT2ASLC2A1SLC2A4
SCHEMBL4502357 0.86 KMT2A (0.39) MGLLKMT2ASLC2A1SLC2A4
SCHEMBL4495844 0.86 KMT2A (0.39) MGLLKMT2ASLC2A1SLC2A4

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-7563793-B2 Pyrrolo[1,2-a]quinoxalin-5-(4H)-yl)sulfonyls and carbonyls and their use as estrogenic agents WYETH (US) 2009-07-21 US claimed
US-20060160815-A1 Pyrrolo[1,2-a]quinoxalin-5-(4H)-yl)sulfonyls and carbonyls and their use as estrogenic agents WYETH (US) 2006-07-20 US claimed
US-7563793-B2 Pyrrolo[1,2-a]quinoxalin-5-(4H)-yl)sulfonyls and carbonyls and their use as estrogenic agents WYETH (US) 2009-07-21 US disclosed
US-20060160815-A1 Pyrrolo[1,2-a]quinoxalin-5-(4H)-yl)sulfonyls and carbonyls and their use as estrogenic agents WYETH (US) 2006-07-20 US 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 (1 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-20060160815-A1 Pyrrolo[1,2-a]quinoxalin-5-(4H)-yl)sulfonyls and carbonyls and their use as estrogenic agents ESR1, GPER1, ESR2 MGLL 4656/4885LMNA 3776/4885GAA 4393/4885

“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.