SCHEMBL4498465

SCHEMBL4498465

COc1ccc(C(=O)N2c3cc(Br)ccc3-n3cccc3C2C(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PTPN1 P18031 1/20 0.38
SCN5A Q14524 2/20 0.38
SCN9A Q15858 2/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
TP53 P04637 1/20 0.36
GPR183 P32249 2/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL4490186 0.90 MEN1 (0.45) MAPK1KDM4ETDP1L3MBTL1MAPT
SCHEMBL4490340 0.89 MEN1 (0.34) L3MBTL1MEN1KMT2ASCN5ASCN9A
SCHEMBL4495254 0.86 PTPN1 (0.42) MAPK1KDM4EGLATDP1L3MBTL1
SCHEMBL4495273 0.86 MAPK1 (0.39) MAPK1KDM4EGLATDP1L3MBTL1
SCHEMBL4496967 0.84 P2RY1 (0.40) MAPK1KDM4EGLATDP1L3MBTL1
SCHEMBL4498275 0.82 P4HB (0.36) KDM4EMEN1KMT2ANPSR1TP53
SCHEMBL4493381 0.82 P4HB (0.36) KDM4EMEN1KMT2ANPSR1TP53
SCHEMBL4499456 0.78 PDK1 (0.48) HSP90AA1
SCHEMBL4500535 0.76 ELANE (0.43) KDM4EL3MBTL1MEN1LMNAKMT2A
SCHEMBL4482045 0.74 KMT2A (0.43) L3MBTL1MAPTMEN1KMT2APTPN1

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 3 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 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
WO-2006068928-A1 PYRROLO[1,2-A]QUINOXALIN-5-(4H)-YL)SULFONYLS AND CARBONYLS AND THEIR USE AS ESTROGENIC AGENTS WYETH (US) 2006-06-29 WO 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 MAPK1 1575/4885KDM4E 90/4885GLA 1457/4885

“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.