SCHEMBL4495273

SCHEMBL4495273

COc1ccc(C(=O)N2c3cc(Br)ccc3-n3cccc3C2C(C)(C)C)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
PTPN1 P18031 1/20 0.38
TSHR P16473 1/20 0.37
PARP15 Q460N3 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
NPC1 O15118 3/20 0.35
MAPT P10636 3/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL4494662 0.87 PTPN1 (0.42) MAPK1ALDH1A1GAATP53HPGD
SCHEMBL4498465 0.86 MAPK1 (0.38) MAPK1ALDH1A1GAATP53PTPN1
SCHEMBL4491871 0.85 ALDH1A1 (0.39) MAPK1ALDH1A1GAATP53HPGD
SCHEMBL4490186 0.85 MEN1 (0.45) MAPK1ALDH1A1GAATP53HPGD
SCHEMBL4499456 0.81 PDK1 (0.48)
SCHEMBL4490340 0.77 MEN1 (0.34) ALDH1A1GAAHPGDSCN5ASCN9A
SCHEMBL4498275 0.75 P4HB (0.36) ALDH1A1TP53HPGDTSHRKDM4E
SCHEMBL4493381 0.75 P4HB (0.36) ALDH1A1TP53HPGDTSHRKDM4E
SCHEMBL4490813 0.74 HSD11B1 (0.42) MAPK1ALDH1A1GAAHPGDPTPN1
SCHEMBL4490952 0.74 TSHR (0.43) ALDH1A1GAAPTPN1TSHRKDM4E

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 1575/4885ALDH1A1 2755/4885GAA 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.